2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol

C12H25NO — CID 65079742

IUPAC2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
SMILESCC1CCCC(NCC(C)CO)CC1
InChIInChI=1S/C12H25NO/c1-10-4-3-5-12(7-6-10)13-8-11(2)9-14/h10-14H,3-9H2,1-2H3
InChIKeyXUTLYXNSXHJPID-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.17
Rot. Bonds4

About 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol

2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol (PubChem CID 65079742) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
PubChem CID65079742
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol
SMILESCC1CCCC(NCC(C)CO)CC1
InChIInChI=1S/C12H25NO/c1-10-4-3-5-12(7-6-10)13-8-11(2)9-14/h10-14H,3-9H2,1-2H3
InChIKeyXUTLYXNSXHJPID-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methyl-3-methylsulfanylpropyl)cycloheptan-1-amine
CID 65079994
[(5-methylcyclononyl)amino]methanol
CID 155469542
1-methoxy-3-[(4-methylcycloheptyl)amino]propan-2-ol
CID 65080146
2-methyl-3-[(1-propylazepan-4-yl)amino]propan-1-ol
CID 65078153
N-(2,2-diethoxyethyl)-4-methylcycloheptan-1-amine
CID 79547423
5-[(4-methylcycloheptyl)amino]pentan-2-ol
CID 106121910
4-methyl-2-[(4-methylcycloheptyl)amino]pentan-1-ol
CID 65079779
2-[(4-methylcycloheptyl)amino]butan-1-ol
CID 65081279
3-[(4-methylcycloheptyl)amino]-N-propan-2-ylpropanamide
CID 113409685
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
2-[(cyclobutylamino)methyl]pentan-1-ol
CID 117241776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol (CID 65079742) is 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol is CC1CCCC(NCC(C)CO)CC1.
What is the InChIKey of 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol?
The InChIKey is XUTLYXNSXHJPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-4-3-5-12(7-6-10)13-8-11(2)9-14/h10-14H,3-9H2,1-2H3.
What are the key properties of 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol?
2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol has a molecular weight of 199.34 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4-methylcycloheptyl)amino]propan-1-ol is sourced from PubChem (CID 65079742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).