1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol

C12H23NO — CID 104582440

IUPAC1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol
SMILESC=CCCC(C)NCC1(O)CCCC1
InChIInChI=1S/C12H23NO/c1-3-4-7-11(2)13-10-12(14)8-5-6-9-12/h3,11,13-14H,1,4-10H2,2H3
InChIKeyVSMNUASCIONMHF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.24
Rot. Bonds6

About 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol

1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol (PubChem CID 104582440) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol
PubChem CID104582440
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol
SMILESC=CCCC(C)NCC1(O)CCCC1
InChIInChI=1S/C12H23NO/c1-3-4-7-11(2)13-10-12(14)8-5-6-9-12/h3,11,13-14H,1,4-10H2,2H3
InChIKeyVSMNUASCIONMHF-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(hex-5-en-2-ylamino)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
4-[(2S)-pyrrolidin-2-yl]hepta-1,6-dien-4-ol
CID 788018
(2R)-2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
CID 138485455
2-[(2S)-pyrrolidin-2-yl]but-3-en-2-ol
CID 138485562
1-[(But-1-en-2-ylamino)methyl]cyclopentan-1-ol
CID 146416378
(4R)-2,3,4-trimethyl-4-(propan-2-ylamino)non-8-en-3-ol
CID 170636685
(3R,6R)-6-ethenyl-3-methylpiperidin-3-ol
CID 178106236
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
(2S,3S,5R)-5-(iodomethyl)-2-methyl-3-prop-2-enylpyrrolidin-3-ol
CID 15342439
CID 16754484
CID 16754484

Frequently Asked Questions

What is the IUPAC name of 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol (CID 104582440) is 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol is C=CCCC(C)NCC1(O)CCCC1.
What is the InChIKey of 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol?
The InChIKey is VSMNUASCIONMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-3-4-7-11(2)13-10-12(14)8-5-6-9-12/h3,11,13-14H,1,4-10H2,2H3.
What are the key properties of 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol?
1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol has a molecular weight of 197.32 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(hex-5-en-2-ylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 104582440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).