3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine

C21H35N3 — CID 145176328

IUPAC3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCCCC1.N#CCCN.[H][H].[H][H]
InChIInChI=1S/C18H25N.C3H6N2.2H2/c1-14(12-15-8-4-2-5-9-15)17-13-18(17)19-16-10-6-3-7-11-16;4-2-1-3-5;;/h2,4-5,8-9,12,16-19H,3,6-7,10-11,13H2,1H3;1-2,4H2;2*1H/b14-12+;;;/t17-,18+;;;/m0.../s1
InChIKeyWBVGWWLQSKFBDR-PZNCYUHPSA-N
MW329.53 g/mol
LogP4.75
Rot. Bonds5

About 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine

3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine (PubChem CID 145176328) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine.

Molecular Properties

Compound Name3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine
PubChem CID145176328
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine
SMILESC/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCCCC1.N#CCCN.[H][H].[H][H]
InChIInChI=1S/C18H25N.C3H6N2.2H2/c1-14(12-15-8-4-2-5-9-15)17-13-18(17)19-16-10-6-3-7-11-16;4-2-1-3-5;;/h2,4-5,8-9,12,16-19H,3,6-7,10-11,13H2,1H3;1-2,4H2;2*1H/b14-12+;;;/t17-,18+;;;/m0.../s1
InChIKeyWBVGWWLQSKFBDR-PZNCYUHPSA-N
XLogP4.75
TPSA61.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]azetidin-3-amine
CID 122641214
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 122641169
2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetic acid
CID 122641059
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol
CID 138711292
2,2-dimethyl-3-[[4-[[(2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoic acid
CID 138711790
4-[2-[2-[(4-aminocyclohexyl)amino]cyclopropyl]prop-1-enyl]benzonitrile;dihydrochloride
CID 135351420
4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 138677722
N-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]acetamide;2,2,2-trifluoroacetic acid
CID 138677638
[4-[[2-[(E)-1-(4-cyanophenyl)prop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamic acid
CID 122640922
methyl 2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 122641007
tert-butyl N-[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]carbamate;4-N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexane-1,4-diamine
CID 160686068
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]methyl]pyridine-2-carboxylic acid;dihydrochloride
CID 122641315

Frequently Asked Questions

What is the IUPAC name of 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine?
The IUPAC name of 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine (CID 145176328) is 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine.
What is the SMILES notation for 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine?
The canonical SMILES for 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine is C/C(=C\c1ccccc1)[C@@H]1C[C@H]1NC1CCCCC1.N#CCCN.[H][H].[H][H].
What is the InChIKey of 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine?
The InChIKey is WBVGWWLQSKFBDR-PZNCYUHPSA-N. The full InChI is InChI=1S/C18H25N.C3H6N2.2H2/c1-14(12-15-8-4-2-5-9-15)17-13-18(17)19-16-10-6-3-7-11-16;4-2-1-3-5;;/h2,4-5,8-9,12,16-19H,3,6-7,10-11,13H2,1H3;1-2,4H2;2*1H/b14-12+;;;/t17-,18+;;;/m0.../s1.
What are the key properties of 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine?
3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine has a molecular weight of 329.53 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine is sourced from PubChem (CID 145176328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).