3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol

C15H29NO — CID 75428345

IUPAC3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)=CCCC(C)NCC1CCCC(O)C1
InChIInChI=1S/C15H29NO/c1-12(2)6-4-7-13(3)16-11-14-8-5-9-15(17)10-14/h6,13-17H,4-5,7-11H2,1-3H3
InChIKeyWZBZMNIANWFIPJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.26
Rot. Bonds6

About 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol

3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 75428345) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID75428345
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(C)=CCCC(C)NCC1CCCC(O)C1
InChIInChI=1S/C15H29NO/c1-12(2)6-4-7-13(3)16-11-14-8-5-9-15(17)10-14/h6,13-17H,4-5,7-11H2,1-3H3
InChIKeyWZBZMNIANWFIPJ-UHFFFAOYSA-N
XLogP3.26
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]hept-5-en-2-amine
CID 97231847
3-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
CID 104924912
(2S)-N-[(1,1-dioxothian-4-yl)methyl]-6-methylhept-5-en-2-amine
CID 39782154
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
3-[(pentan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271338
4-[3-[(3-hydroxycyclohexyl)methylamino]butyl]phenol
CID 104862000
3-[(1-cyclopropylpropan-2-ylamino)methyl]cyclopentan-1-ol
CID 103271439
3-[(1-piperidin-2-ylpropan-2-ylamino)methyl]cyclohexan-1-ol
CID 114146569
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
3-[[1-(2-fluorophenyl)propan-2-ylamino]methyl]cyclohexan-1-ol
CID 102612821
N-cyclopentyl-2-[(3-hydroxycyclohexyl)methylamino]propanamide
CID 106132630
3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785809

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol (CID 75428345) is 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol is CC(C)=CCCC(C)NCC1CCCC(O)C1.
What is the InChIKey of 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is WZBZMNIANWFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)6-4-7-13(3)16-11-14-8-5-9-15(17)10-14/h6,13-17H,4-5,7-11H2,1-3H3.
What are the key properties of 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol?
3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 239.40 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methylhept-5-en-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 75428345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).