[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol

C14H27NO — CID 115724046

IUPAC[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol
SMILESC=CCCC(CC)NC1CCCC1(C)CO
InChIInChI=1S/C14H27NO/c1-4-6-8-12(5-2)15-13-9-7-10-14(13,3)11-16/h4,12-13,15-16H,1,5-11H2,2-3H3
InChIKeySFCRVVCZAIWYIS-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.87
Rot. Bonds7

About [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol

[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol (PubChem CID 115724046) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol.

Molecular Properties

Compound Name[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol
PubChem CID115724046
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol
SMILESC=CCCC(CC)NC1CCCC1(C)CO
InChIInChI=1S/C14H27NO/c1-4-6-8-12(5-2)15-13-9-7-10-14(13,3)11-16/h4,12-13,15-16H,1,5-11H2,2-3H3
InChIKeySFCRVVCZAIWYIS-UHFFFAOYSA-N
XLogP2.87
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.87
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

[2-(hexan-3-ylamino)-1-methylcyclopentyl]methanol
CID 115905963
[2-(heptan-3-ylamino)-1-methylcyclopentyl]methanol
CID 115724050
3-[(2,2-dimethylcyclopentyl)amino]pentan-1-ol
CID 115723124
4-(hept-6-en-3-ylamino)oxolan-3-ol
CID 115923400
1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893962
N-hept-6-en-3-yl-1,1-dioxothiolan-3-amine
CID 115707649
[2-(2,2-dimethylpropylamino)-1-methylcyclopentyl]methanol
CID 115655345
N-hept-6-en-3-yl-4-methyloxan-4-amine
CID 115921845
N-hexan-3-ylspiro[3.5]nonan-3-amine
CID 102951793
1-(2,2-dimethylcyclopentyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111841148
1-cyclopentyl-N-propylhex-5-en-2-amine
CID 104987521
[1-methyl-2-[1-(1,3-thiazol-4-yl)ethylamino]cyclopentyl]methanol
CID 115879388

Frequently Asked Questions

What is the IUPAC name of [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol?
The IUPAC name of [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol (CID 115724046) is [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol.
What is the SMILES notation for [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol?
The canonical SMILES for [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol is C=CCCC(CC)NC1CCCC1(C)CO.
What is the InChIKey of [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol?
The InChIKey is SFCRVVCZAIWYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-4-6-8-12(5-2)15-13-9-7-10-14(13,3)11-16/h4,12-13,15-16H,1,5-11H2,2-3H3.
What are the key properties of [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol?
[2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hept-6-en-3-ylamino)-1-methylcyclopentyl]methanol is sourced from PubChem (CID 115724046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).