1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol

C14H27NO — CID 163541819

IUPAC1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol
SMILESCCC(O)N[C@@H]1CCC/C(=C/CC(C)C)C1
InChIInChI=1S/C14H27NO/c1-4-14(16)15-13-7-5-6-12(10-13)9-8-11(2)3/h9,11,13-16H,4-8,10H2,1-3H3/b12-9-/t13-,14?/m1/s1
InChIKeyFBSZSOZVNSHVAG-WLABXARRSA-N
MW225.38 g/mol
LogP3.22
Rot. Bonds5

About 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol

1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol (PubChem CID 163541819) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol
PubChem CID163541819
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol
SMILESCCC(O)N[C@@H]1CCC/C(=C/CC(C)C)C1
InChIInChI=1S/C14H27NO/c1-4-14(16)15-13-7-5-6-12(10-13)9-8-11(2)3/h9,11,13-16H,4-8,10H2,1-3H3/b12-9-/t13-,14?/m1/s1
InChIKeyFBSZSOZVNSHVAG-WLABXARRSA-N
XLogP3.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol with MolForge

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Related Compounds

(3E)-1-(cyclohexylamino)-4,8-dimethylnona-3,7-dien-1-ol
CID 20185398
1-(Cyclohexen-1-ylmethylamino)ethanol
CID 23342177
2-(3,7-Dimethyloct-6-enylamino)-2-methylpropan-1-ol
CID 54502459
(Z)-2-methyl-7-(1,2,3,6-tetrahydropyridin-4-yl)hept-4-en-1-ol
CID 68213313
9-(Cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 70435118
(2E,6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 88662138
1-[(4-Amino-6-methylcyclohex-2-en-1-yl)amino]but-3-en-1-ol
CID 89163851
(S)-butylamino(cyclohex-3-en-1-yl)methanol
CID 118933791
1-[[(6R)-6-methyl-4-sulfanylcyclohex-3-en-1-yl]amino]propan-1-ol
CID 124191752
Cyclohex-2-en-1-yl-(cyclohexylamino)methanol
CID 139564743
(6E)-9-(cyclohexylamino)-2,6-dimethylnona-2,6-dien-1-ol
CID 140347081
3-[[(1S)-4-methylcyclohex-3-en-1-yl]methylamino]propan-1-ol
CID 142067814

Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol?
The IUPAC name of 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol (CID 163541819) is 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol is CCC(O)N[C@@H]1CCC/C(=C/CC(C)C)C1.
What is the InChIKey of 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol?
The InChIKey is FBSZSOZVNSHVAG-WLABXARRSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-14(16)15-13-7-5-6-12(10-13)9-8-11(2)3/h9,11,13-16H,4-8,10H2,1-3H3/b12-9-/t13-,14?/m1/s1.
What are the key properties of 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol?
1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,3Z)-3-(3-methylbutylidene)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 163541819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).