2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol

C16H33NO — CID 113340266

IUPAC2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
SMILESCC(CO)CCCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-13(2)15-7-4-8-16(10-9-15)17-11-5-6-14(3)12-18/h13-18H,4-12H2,1-3H3
InChIKeyRQEMWTJYTBDOBA-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.59
Rot. Bonds7

About 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol

2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol (PubChem CID 113340266) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
PubChem CID113340266
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol
SMILESCC(CO)CCCNC1CCCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-13(2)15-7-4-8-16(10-9-15)17-11-5-6-14(3)12-18/h13-18H,4-12H2,1-3H3
InChIKeyRQEMWTJYTBDOBA-UHFFFAOYSA-N
XLogP3.59
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-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

2-[(4-propan-2-ylcycloheptyl)amino]ethanol
CID 65086684
5-[(4-propan-2-ylcyclohexyl)amino]pentan-2-ol
CID 107267674
N,N'-dicyclopropyl-4-methylheptane-1,7-diamine
CID 66322125
trans-(1R,2R)-2-[(5-hydroxy-4-methylpentyl)amino]cyclopentan-1-ol
CID 106159975
N'-cyclobutyl-2-methylpentane-1,5-diamine
CID 82682689
2-methyl-5-(thietan-3-ylamino)pentan-1-ol
CID 135393207
2-methyl-5-[(2-methylcyclopentyl)amino]pentan-1-ol
CID 103859481
1-[4-[(5-hydroxy-4-methylpentyl)amino]piperidin-1-yl]ethanone
CID 103859428
N-(4-methylhexyl)cyclopropanamine
CID 62529631
2-methyl-5-(oxolan-3-ylamino)pentan-1-ol
CID 103859420
4-propan-2-yl-N-(5,5,5-trifluoropentyl)cycloheptan-1-amine
CID 115517023
2-methyl-5-[(1-propan-2-ylpyrrolidin-3-yl)amino]pentan-1-ol
CID 103859417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
The IUPAC name of 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol (CID 113340266) is 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol.
What is the SMILES notation for 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
The canonical SMILES for 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol is CC(CO)CCCNC1CCCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
The InChIKey is RQEMWTJYTBDOBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-13(2)15-7-4-8-16(10-9-15)17-11-5-6-14(3)12-18/h13-18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol?
2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(4-propan-2-ylcycloheptyl)amino]pentan-1-ol is sourced from PubChem (CID 113340266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).