1-(3,5-dimethylcycloheptyl)propan-1-amine

C12H25N — CID 145017744

IUPAC1-(3,5-dimethylcycloheptyl)propan-1-amine
SMILESCCC(N)C1CCC(C)CC(C)C1
InChIInChI=1S/C12H25N/c1-4-12(13)11-6-5-9(2)7-10(3)8-11/h9-12H,4-8,13H2,1-3H3
InChIKeyXFUCZQKLIVJVBW-UHFFFAOYSA-N
MW183.34 g/mol
LogP3.19
Rot. Bonds2

About 1-(3,5-dimethylcycloheptyl)propan-1-amine

1-(3,5-dimethylcycloheptyl)propan-1-amine (PubChem CID 145017744) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 1-(3,5-dimethylcycloheptyl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcycloheptyl)propan-1-amine
PubChem CID145017744
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name1-(3,5-dimethylcycloheptyl)propan-1-amine
SMILESCCC(N)C1CCC(C)CC(C)C1
InChIInChI=1S/C12H25N/c1-4-12(13)11-6-5-9(2)7-10(3)8-11/h9-12H,4-8,13H2,1-3H3
InChIKeyXFUCZQKLIVJVBW-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylcyclopentyl)butan-1-amine
CID 65414567
2-cyclopentyl-1-(3-methylcyclopentyl)ethanamine
CID 65413957
1-(3-ethylcyclopentyl)propan-1-amine
CID 65410017
1,3-dimethyl-5-pentan-2-ylcycloheptane
CID 57011378
1-(3-methylcyclopentyl)propan-1-ol
CID 65400346
(3,5-dimethylcyclohexyl)-(4-propylcyclohexyl)methanamine
CID 65424912
1-(3-methylcyclohexyl)pentan-1-amine
CID 62603972
1-(3-methylcyclohexyl)hexan-1-amine
CID 55210427
1-(2-methyloxan-4-yl)propan-1-amine
CID 79308467
(3,5-dimethylcyclohexyl)-(3-methylcyclopentyl)methanol
CID 65402149
4-(1-aminopropyl)cyclohexan-1-ol
CID 116941798
(3,5-dimethylcyclohexyl)-(3-ethylcyclopentyl)methanamine
CID 65411202

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcycloheptyl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylcycloheptyl)propan-1-amine (CID 145017744) is 1-(3,5-dimethylcycloheptyl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylcycloheptyl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylcycloheptyl)propan-1-amine is CCC(N)C1CCC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcycloheptyl)propan-1-amine?
The InChIKey is XFUCZQKLIVJVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-4-12(13)11-6-5-9(2)7-10(3)8-11/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcycloheptyl)propan-1-amine?
1-(3,5-dimethylcycloheptyl)propan-1-amine has a molecular weight of 183.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcycloheptyl)propan-1-amine is sourced from PubChem (CID 145017744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).