3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol

C12H23NO — CID 107907330

IUPAC3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-2-11(8-9-14)10-13-12-6-4-3-5-7-12/h4,6,11-14H,2-3,5,7-10H2,1H3
InChIKeyHHZPNPDVCHZCRH-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.09
Rot. Bonds6

About 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol

3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol (PubChem CID 107907330) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
PubChem CID107907330
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNC1C=CCCC1
InChIInChI=1S/C12H23NO/c1-2-11(8-9-14)10-13-12-6-4-3-5-7-12/h4,6,11-14H,2-3,5,7-10H2,1H3
InChIKeyHHZPNPDVCHZCRH-UHFFFAOYSA-N
XLogP2.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.09
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

1-(cyclohex-2-en-1-ylamino)-3-ethylpentan-2-ol
CID 106285917
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(3-methylbut-2-enyl)cyclohex-2-en-1-amine
CID 106547294
N-(5-methylhexyl)cyclohex-2-en-1-amine
CID 107907594
trans-(1R,2R)-2-[2-(2-hydroxyethyl)pentylamino]cyclopentan-1-ol
CID 106115022
N-propylcyclooct-2-en-1-amine
CID 123644376
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132
3-[(thian-4-ylamino)methyl]hexan-1-ol
CID 111470638
3-(cyclohex-2-en-1-ylamino)propanoic acid
CID 114620369
2-(cyclohex-2-en-1-ylamino)-N-ethyl-N-methylpropanamide
CID 107908317
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
CID 107907027

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol?
The IUPAC name of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol (CID 107907330) is 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol is CCC(CCO)CNC1C=CCCC1.
What is the InChIKey of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol?
The InChIKey is HHZPNPDVCHZCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-11(8-9-14)10-13-12-6-4-3-5-7-12/h4,6,11-14H,2-3,5,7-10H2,1H3.
What are the key properties of 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol?
3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclohex-2-en-1-ylamino)methyl]pentan-1-ol is sourced from PubChem (CID 107907330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).