5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol

C23H34N2O — CID 138711292

IUPAC5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol
SMILESC=C(O)CCCNC1CCC(NC2CC2/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C23H34N2O/c1-17(15-19-8-4-3-5-9-19)22-16-23(22)25-21-12-10-20(11-13-21)24-14-6-7-18(2)26/h3-5,8-9,15,20-26H,2,6-7,10-14,16H2,1H3/b17-15+
InChIKeyGKHTWHKAOGHCQK-BMRADRMJSA-N
MW354.54 g/mol
LogP4.82
Rot. Bonds9

About 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol

5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol (PubChem CID 138711292) has the molecular formula C23H34N2O and a molecular weight of 354.54 g/mol. Its IUPAC name is 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol.

Molecular Properties

Compound Name5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol
PubChem CID138711292
Molecular FormulaC23H34N2O
Molecular Weight354.54 g/mol
Exact Mass354.27
IUPAC Name5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol
SMILESC=C(O)CCCNC1CCC(NC2CC2/C(C)=C/c2ccccc2)CC1
InChIInChI=1S/C23H34N2O/c1-17(15-19-8-4-3-5-9-19)22-16-23(22)25-21-12-10-20(11-13-21)24-14-6-7-18(2)26/h3-5,8-9,15,20-26H,2,6-7,10-14,16H2,1H3/b17-15+
InChIKeyGKHTWHKAOGHCQK-BMRADRMJSA-N
XLogP4.82
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol with MolForge

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Launch Full Analysis

Related Compounds

2,2-dimethyl-3-[[4-[[(2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]propanoic acid
CID 138711790
N-[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]azetidin-3-amine
CID 122641214
2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetic acid
CID 122641059
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
N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]-1-pyrimidin-2-ylpiperidin-4-amine
CID 122641169
methyl 2-[4-[[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]piperidin-1-yl]acetate;dihydrochloride
CID 122641007
3-aminopropanenitrile;molecular hydrogen;N-[(1R,2S)-2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]cyclohexanamine
CID 145176328
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
1-[[[4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 122641119
4-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexan-1-one
CID 122641251
2-[[[4-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]methyl]benzoic acid;dihydrochloride
CID 122641273

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol?
The IUPAC name of 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol (CID 138711292) is 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol.
What is the SMILES notation for 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol?
The canonical SMILES for 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol is C=C(O)CCCNC1CCC(NC2CC2/C(C)=C/c2ccccc2)CC1.
What is the InChIKey of 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol?
The InChIKey is GKHTWHKAOGHCQK-BMRADRMJSA-N. The full InChI is InChI=1S/C23H34N2O/c1-17(15-19-8-4-3-5-9-19)22-16-23(22)25-21-12-10-20(11-13-21)24-14-6-7-18(2)26/h3-5,8-9,15,20-26H,2,6-7,10-14,16H2,1H3/b17-15+.
What are the key properties of 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol?
5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol has a molecular weight of 354.54 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[[2-[(E)-1-phenylprop-1-en-2-yl]cyclopropyl]amino]cyclohexyl]amino]pent-1-en-2-ol is sourced from PubChem (CID 138711292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).