1-[(hept-6-enylamino)methyl]cyclopentan-1-ol

C13H25NO — CID 107006900

IUPAC1-[(hept-6-enylamino)methyl]cyclopentan-1-ol
SMILESC=CCCCCCNCC1(O)CCCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-8-11-14-12-13(15)9-6-7-10-13/h2,14-15H,1,3-12H2
InChIKeyYYSKTXGZJDJRKR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds8

About 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol

1-[(hept-6-enylamino)methyl]cyclopentan-1-ol (PubChem CID 107006900) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(hept-6-enylamino)methyl]cyclopentan-1-ol
PubChem CID107006900
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[(hept-6-enylamino)methyl]cyclopentan-1-ol
SMILESC=CCCCCCNCC1(O)CCCC1
InChIInChI=1S/C13H25NO/c1-2-3-4-5-8-11-14-12-13(15)9-6-7-10-13/h2,14-15H,1,3-12H2
InChIKeyYYSKTXGZJDJRKR-UHFFFAOYSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Pyrrolidin-2-yl-hepta-1,6-dien-4-ol
CID 3138066
N-[(1-hydroxycyclopentyl)methyl]pent-4-enamide
CID 49754449
4-[(2S)-pyrrolidin-2-yl]hepta-1,6-dien-4-ol
CID 788018
3-But-3-enylpiperidin-3-ol
CID 130835884
1-[(But-1-en-2-ylamino)methyl]cyclopentan-1-ol
CID 146416378
(3S)-3-prop-2-enylpiperidin-3-ol
CID 177330119
4-[(2R)-pyrrolidin-2-yl]hepta-1,6-dien-4-ol
CID 788016
4-[(2R)-pyrrolidin-1-ium-2-yl]hepta-1,6-dien-4-ol
CID 6943799
4-[(2S)-pyrrolidin-1-ium-2-yl]hepta-1,6-dien-4-ol
CID 6943800
2-Methyl-1-(methylamino)hex-5-en-2-ol
CID 21583759
4-Pyrrolidin-2-ylhepta-1,6-dien-4-ol;hydrochloride
CID 44118350
4-Pyrrolidin-2-ylhepta-1,6-dien-4-ol chloride
CID 49951380

Frequently Asked Questions

What is the IUPAC name of 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol (CID 107006900) is 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol is C=CCCCCCNCC1(O)CCCC1.
What is the InChIKey of 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol?
The InChIKey is YYSKTXGZJDJRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-2-3-4-5-8-11-14-12-13(15)9-6-7-10-13/h2,14-15H,1,3-12H2.
What are the key properties of 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol?
1-[(hept-6-enylamino)methyl]cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hept-6-enylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 107006900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).