2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol

C14H25NO — CID 115883971

IUPAC2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1CC=CCC1)CC1CCCC1O
InChIInChI=1S/C14H25NO/c1-15(10-12-6-3-2-4-7-12)11-13-8-5-9-14(13)16/h2-3,12-14,16H,4-11H2,1H3
InChIKeyKSNMXSUJPOCNLZ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.44
Rot. Bonds4

About 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol

2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol (PubChem CID 115883971) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
PubChem CID115883971
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol
SMILESCN(CC1CC=CCC1)CC1CCCC1O
InChIInChI=1S/C14H25NO/c1-15(10-12-6-3-2-4-7-12)11-13-8-5-9-14(13)16/h2-3,12-14,16H,4-11H2,1H3
InChIKeyKSNMXSUJPOCNLZ-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[methyl-[(2-methylcyclopropyl)methyl]amino]methyl]cyclopentan-1-ol
CID 63866134
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
2-[[benzyl(methyl)amino]methyl]cyclopentan-1-ol
CID 62609001
2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]cyclopentan-1-ol
CID 63211351
2-[[2-bromoprop-2-enyl(methyl)amino]methyl]cyclopentan-1-ol
CID 109398174
2-[[cyclopropylmethyl(propyl)amino]methyl]cyclopentan-1-ol
CID 62609054
2-[[(4-bromophenyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 55094675
1-[(3E)-cyclooct-3-en-1-yl]-N-methyl-N-[[(1S)-4-methylcyclohex-3-en-1-yl]methyl]methanamine;ethane;methane
CID 142068061
(1R)-2-[[(1S)-cyclohex-3-en-1-yl]methyl-methylamino]-1-phenylethanol
CID 7074499
1-[2-[(2-hydroxycyclopentyl)methyl-methylamino]ethyl]pyrrolidine-2,5-dione
CID 109397805
2-[cyclohex-3-en-1-ylmethyl(2-hydroxyethyl)amino]ethanol
CID 2846062
N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2845835

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
The IUPAC name of 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol (CID 115883971) is 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol is CN(CC1CC=CCC1)CC1CCCC1O.
What is the InChIKey of 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
The InChIKey is KSNMXSUJPOCNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-15(10-12-6-3-2-4-7-12)11-13-8-5-9-14(13)16/h2-3,12-14,16H,4-11H2,1H3.
What are the key properties of 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol?
2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol has a molecular weight of 223.36 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclohex-3-en-1-ylmethyl(methyl)amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 115883971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).