2-[(4-methylcycloheptyl)amino]butan-1-ol

C12H25NO — CID 65081279

IUPAC2-[(4-methylcycloheptyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCC(C)CC1
InChIInChI=1S/C12H25NO/c1-3-11(9-14)13-12-6-4-5-10(2)7-8-12/h10-14H,3-9H2,1-2H3
InChIKeyYBRJKDLMJGDNLN-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.32
Rot. Bonds4

About 2-[(4-methylcycloheptyl)amino]butan-1-ol

2-[(4-methylcycloheptyl)amino]butan-1-ol (PubChem CID 65081279) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-[(4-methylcycloheptyl)amino]butan-1-ol.

Molecular Properties

Compound Name2-[(4-methylcycloheptyl)amino]butan-1-ol
PubChem CID65081279
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-[(4-methylcycloheptyl)amino]butan-1-ol
SMILESCCC(CO)NC1CCCC(C)CC1
InChIInChI=1S/C12H25NO/c1-3-11(9-14)13-12-6-4-5-10(2)7-8-12/h10-14H,3-9H2,1-2H3
InChIKeyYBRJKDLMJGDNLN-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-pentan-3-ylcycloheptan-1-amine
CID 65081260
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
(2R)-2-[(4-propylcyclohexyl)amino]butan-1-ol
CID 28724606
3-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 104881655
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
(2S)-2-[(2,6-dimethylcyclohexyl)amino]butan-1-ol
CID 104980900
2-[[4-(2-methylbutan-2-yl)cyclohexyl]amino]butan-1-ol
CID 43079522
(2S)-2-(piperidin-3-ylamino)butan-1-ol
CID 104980396
3-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)propan-1-ol
CID 64797687
3-(cyclopropylamino)pentan-1-ol
CID 83815190

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylcycloheptyl)amino]butan-1-ol?
The IUPAC name of 2-[(4-methylcycloheptyl)amino]butan-1-ol (CID 65081279) is 2-[(4-methylcycloheptyl)amino]butan-1-ol.
What is the SMILES notation for 2-[(4-methylcycloheptyl)amino]butan-1-ol?
The canonical SMILES for 2-[(4-methylcycloheptyl)amino]butan-1-ol is CCC(CO)NC1CCCC(C)CC1.
What is the InChIKey of 2-[(4-methylcycloheptyl)amino]butan-1-ol?
The InChIKey is YBRJKDLMJGDNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-11(9-14)13-12-6-4-5-10(2)7-8-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-[(4-methylcycloheptyl)amino]butan-1-ol?
2-[(4-methylcycloheptyl)amino]butan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcycloheptyl)amino]butan-1-ol is sourced from PubChem (CID 65081279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).