1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine

C17H33NO — CID 65167150

IUPAC1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(CCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)15-6-3-10-17(18,12-9-15)11-4-7-16-8-5-13-19-16/h14-16H,3-13,18H2,1-2H3
InChIKeyQDJLMJFTWNISAP-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.27
Rot. Bonds5

About 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine

1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65167150) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID65167150
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(CCCC2CCCO2)CC1
InChIInChI=1S/C17H33NO/c1-14(2)15-6-3-10-17(18,12-9-15)11-4-7-16-8-5-13-19-16/h14-16H,3-13,18H2,1-2H3
InChIKeyQDJLMJFTWNISAP-UHFFFAOYSA-N
XLogP4.27
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine 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

[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
[1-[3-(oxolan-2-yl)propoxy]-4-propan-2-ylcyclohexyl]methanamine
CID 65158667
2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
1-(3-phenylpropyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086951
1-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65166942
N-[(1R)-1-cyclohexylethyl]-3-(oxolan-2-yl)propan-1-amine
CID 81385044
2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65166842
4-methyl-1-(oxolan-2-ylmethyl)cycloheptan-1-amine
CID 65081188
[1-(oxolan-2-ylmethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 62107413
3-methyl-6-(oxolan-2-yl)hexan-1-amine
CID 81013220

Frequently Asked Questions

What is the IUPAC name of 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine (CID 65167150) is 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(CCCC2CCCO2)CC1.
What is the InChIKey of 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is QDJLMJFTWNISAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-14(2)15-6-3-10-17(18,12-9-15)11-4-7-16-8-5-13-19-16/h14-16H,3-13,18H2,1-2H3.
What are the key properties of 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine?
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65167150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).