3-(cycloheptylmethylamino)pentan-1-ol

C13H27NO — CID 115685732

IUPAC3-(cycloheptylmethylamino)pentan-1-ol
SMILESCCC(CCO)NCC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-2-13(9-10-15)14-11-12-7-5-3-4-6-8-12/h12-15H,2-11H2,1H3
InChIKeyVYGQXNIONDUOSW-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.71
Rot. Bonds6

About 3-(cycloheptylmethylamino)pentan-1-ol

3-(cycloheptylmethylamino)pentan-1-ol (PubChem CID 115685732) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 3-(cycloheptylmethylamino)pentan-1-ol.

Molecular Properties

Compound Name3-(cycloheptylmethylamino)pentan-1-ol
PubChem CID115685732
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name3-(cycloheptylmethylamino)pentan-1-ol
SMILESCCC(CCO)NCC1CCCCCC1
InChIInChI=1S/C13H27NO/c1-2-13(9-10-15)14-11-12-7-5-3-4-6-8-12/h12-15H,2-11H2,1H3
InChIKeyVYGQXNIONDUOSW-UHFFFAOYSA-N
XLogP2.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
N-(cycloheptylmethyl)hex-5-yn-3-amine
CID 115685744
N-(cyclobutylmethyl)-1-cyclopropylbutan-2-amine
CID 65459186
1-(2-cyclohexylethyl)-3-(1-hydroxypentan-3-yl)urea
CID 111454492
(2S)-2-[(1-methylpiperidin-3-yl)methylamino]butan-1-ol
CID 104980416
N-(cycloheptylmethyl)pent-1-yn-3-amine
CID 106224416
tert-butyl N-[2-(cyclohexylmethylamino)butyl]carbamate
CID 107250927
4-[cyclohexylmethyl(methyl)amino]-3-(ethylamino)butan-1-ol
CID 64897747
3-(cyclopropylamino)pentan-1-ol
CID 83815190
N-(cyclopentylmethyl)-2,6-dimethylheptan-4-amine
CID 43370762
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
trans-(1S,2S)-2-(1-hydroxypentan-3-ylamino)cyclohexan-1-ol
CID 102731727

Frequently Asked Questions

What is the IUPAC name of 3-(cycloheptylmethylamino)pentan-1-ol?
The IUPAC name of 3-(cycloheptylmethylamino)pentan-1-ol (CID 115685732) is 3-(cycloheptylmethylamino)pentan-1-ol.
What is the SMILES notation for 3-(cycloheptylmethylamino)pentan-1-ol?
The canonical SMILES for 3-(cycloheptylmethylamino)pentan-1-ol is CCC(CCO)NCC1CCCCCC1.
What is the InChIKey of 3-(cycloheptylmethylamino)pentan-1-ol?
The InChIKey is VYGQXNIONDUOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-2-13(9-10-15)14-11-12-7-5-3-4-6-8-12/h12-15H,2-11H2,1H3.
What are the key properties of 3-(cycloheptylmethylamino)pentan-1-ol?
3-(cycloheptylmethylamino)pentan-1-ol has a molecular weight of 213.36 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cycloheptylmethylamino)pentan-1-ol is sourced from PubChem (CID 115685732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).