1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine

C16H33N — CID 83158864

IUPAC1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)CCCC1(N)CCCC(C(C)C)CC1
InChIInChI=1S/C16H33N/c1-13(2)7-5-10-16(17)11-6-8-15(9-12-16)14(3)4/h13-15H,5-12,17H2,1-4H3
InChIKeyHRWXUVKJHUIAKK-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.75
Rot. Bonds5

About 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine

1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 83158864) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID83158864
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)CCCC1(N)CCCC(C(C)C)CC1
InChIInChI=1S/C16H33N/c1-13(2)7-5-10-16(17)11-6-8-15(9-12-16)14(3)4/h13-15H,5-12,17H2,1-4H3
InChIKeyHRWXUVKJHUIAKK-UHFFFAOYSA-N
XLogP4.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine (CID 83158864) is 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine is CC(C)CCCC1(N)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is HRWXUVKJHUIAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-13(2)7-5-10-16(17)11-6-8-15(9-12-16)14(3)4/h13-15H,5-12,17H2,1-4H3.
What are the key properties of 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine?
1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 83158864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).