[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol

C16H27NO — CID 102358461

IUPAC[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol
SMILESC=C(CNC1CCCCC1)[C@@H]1CC=C(CO)CC1
InChIInChI=1S/C16H27NO/c1-13(11-17-16-5-3-2-4-6-16)15-9-7-14(12-18)8-10-15/h7,15-18H,1-6,8-12H2/t15-/m1/s1
InChIKeyUAGMRTURGFBTHQ-OAHLLOKOSA-N
MW249.40 g/mol
LogP3.18
Rot. Bonds5

About [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol

[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol (PubChem CID 102358461) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol.

Molecular Properties

Compound Name[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol
PubChem CID102358461
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol
SMILESC=C(CNC1CCCCC1)[C@@H]1CC=C(CO)CC1
InChIInChI=1S/C16H27NO/c1-13(11-17-16-5-3-2-4-6-16)15-9-7-14(12-18)8-10-15/h7,15-18H,1-6,8-12H2/t15-/m1/s1
InChIKeyUAGMRTURGFBTHQ-OAHLLOKOSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol with MolForge

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Related Compounds

2-[4-(hydroxymethyl)cyclohex-3-en-1-yl]prop-2-en-1-ol
CID 72978336
N-(2-methylidenebutyl)cycloheptanamine
CID 66045688
4-(hydroxymethyl)cyclohex-3-en-1-ol
CID 130125298
cyclododecen-1-ylmethanol
CID 70464862
3-cyclohexyl-1-[(4-prop-1-en-2-ylcyclohexen-1-yl)methyl]-1-propylurea
CID 134088576
N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
CID 24974469
N-[2-[(1R,3S,4S)-4-ethenyl-4-methyl-3-prop-1-en-2-ylcyclohexyl]prop-2-enyl]cyclohexanamine
CID 44570709
(10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl)methanol
CID 75033990
3-(4-prop-1-en-2-ylcyclohexen-1-yl)propan-1-ol
CID 15222644
(4-prop-1-en-2-ylcyclohexen-1-yl)methyl cyclohexanecarboxylate
CID 134301847
2-[(cycloheptylamino)methyl]prop-2-enoic acid
CID 103237247
[4-(ethylaminomethyl)cyclohexen-1-yl]methanol
CID 123453013

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol?
The IUPAC name of [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol (CID 102358461) is [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol.
What is the SMILES notation for [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol?
The canonical SMILES for [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol is C=C(CNC1CCCCC1)[C@@H]1CC=C(CO)CC1.
What is the InChIKey of [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol?
The InChIKey is UAGMRTURGFBTHQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H27NO/c1-13(11-17-16-5-3-2-4-6-16)15-9-7-14(12-18)8-10-15/h7,15-18H,1-6,8-12H2/t15-/m1/s1.
What are the key properties of [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol?
[(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol has a molecular weight of 249.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-[3-(cyclohexylamino)prop-1-en-2-yl]cyclohexen-1-yl]methanol is sourced from PubChem (CID 102358461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).