(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine

C19H29N3 — CID 90395375

IUPAC(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,19+/m1/s1
InChIKeyHEOKXBMRYSEMPZ-VVUWUOFOSA-N
MW299.46 g/mol
LogP2.48
Rot. Bonds4

About (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine

(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine (PubChem CID 90395375) has the molecular formula C19H29N3 and a molecular weight of 299.46 g/mol. Its IUPAC name is (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine
PubChem CID90395375
Molecular FormulaC19H29N3
Molecular Weight299.46 g/mol
Exact Mass299.24
IUPAC Name(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine
SMILESN[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccccc3)CC2)C1
InChIInChI=1S/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,19+/m1/s1
InChIKeyHEOKXBMRYSEMPZ-VVUWUOFOSA-N
XLogP2.48
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine 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

1-[4-(benzylamino)cyclohexyl]pyrrolidin-3-amine
CID 156595341
2-[4-[[(1R,2S)-2-phenylcyclopropyl]amino]piperidin-1-yl]ethanol
CID 129279856
(3R)-1-[2-[[(1S)-2-phenylcyclopropyl]amino]ethyl]pyrrolidin-3-amine;dihydrochloride
CID 162322096
N,1-dicyclopropyl-5-phenylpiperidin-3-amine
CID 83991790
(3S)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-3-amine
CID 66799053
N-(2-phenylcyclopropyl)oxepan-4-amine
CID 65081970
1-[[(3S)-1-cyclopropylpyrrolidin-3-yl]methyl]-3-[[(1S,2R)-2-phenylcyclopropyl]methyl]urea
CID 97081608
4-N-[(1S)-2-[4-(4-chlorophenyl)phenyl]cyclopropyl]cyclohexane-1,4-diamine
CID 170087346
1-(2-phenylcyclohexyl)piperidin-3-amine
CID 105402048
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrrolidin-3-amine
CID 62068570
3,3,5,5-tetradeuterio-N-[(1R,2S)-2-phenylcyclopropyl]piperidin-4-amine
CID 169441068

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine (CID 90395375) is (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine is N[C@@H]1CCN(C2CCC(N[C@H]3C[C@@H]3c3ccccc3)CC2)C1.
What is the InChIKey of (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine?
The InChIKey is HEOKXBMRYSEMPZ-VVUWUOFOSA-N. The full InChI is InChI=1S/C19H29N3/c20-15-10-11-22(13-15)17-8-6-16(7-9-17)21-19-12-18(19)14-4-2-1-3-5-14/h1-5,15-19,21H,6-13,20H2/t15-,16?,17?,18-,19+/m1/s1.
What are the key properties of (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine?
(3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine has a molecular weight of 299.46 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-[[(1S,2R)-2-phenylcyclopropyl]amino]cyclohexyl]pyrrolidin-3-amine is sourced from PubChem (CID 90395375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).