1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol

C13H25NO — CID 97322405

IUPAC1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol
SMILESC=CCC[C@@H](CC)NCC1(O)CCCC1
InChIInChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-11-13(15)9-6-7-10-13/h3,12,14-15H,1,4-11H2,2H3/t12-/m1/s1
InChIKeyGIBSCAZIZRGKLE-GFCCVEGCSA-N
MW211.35 g/mol
LogP2.63
Rot. Bonds7

About 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol

1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol (PubChem CID 97322405) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol
PubChem CID97322405
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol
SMILESC=CCC[C@@H](CC)NCC1(O)CCCC1
InChIInChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-11-13(15)9-6-7-10-13/h3,12,14-15H,1,4-11H2,2H3/t12-/m1/s1
InChIKeyGIBSCAZIZRGKLE-GFCCVEGCSA-N
XLogP2.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-[[[(3R)-hept-6-en-3-yl]amino]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-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
The IUPAC name of 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol (CID 97322405) is 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol is C=CCC[C@@H](CC)NCC1(O)CCCC1.
What is the InChIKey of 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
The InChIKey is GIBSCAZIZRGKLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25NO/c1-3-5-8-12(4-2)14-11-13(15)9-6-7-10-13/h3,12,14-15H,1,4-11H2,2H3/t12-/m1/s1.
What are the key properties of 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol?
1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[(3R)-hept-6-en-3-yl]amino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 97322405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).