2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine

C14H29N — CID 63401726

IUPAC2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)CCC1CC(C(C)C)CCC1N
InChIInChI=1S/C14H29N/c1-10(2)5-6-13-9-12(11(3)4)7-8-14(13)15/h10-14H,5-9,15H2,1-4H3
InChIKeyBWIIEOQINLEDEC-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.82
Rot. Bonds4

About 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine

2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine (PubChem CID 63401726) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
PubChem CID63401726
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine
SMILESCC(C)CCC1CC(C(C)C)CCC1N
InChIInChI=1S/C14H29N/c1-10(2)5-6-13-9-12(11(3)4)7-8-14(13)15/h10-14H,5-9,15H2,1-4H3
InChIKeyBWIIEOQINLEDEC-UHFFFAOYSA-N
XLogP3.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine?
The IUPAC name of 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine (CID 63401726) is 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine is CC(C)CCC1CC(C(C)C)CCC1N.
What is the InChIKey of 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine?
The InChIKey is BWIIEOQINLEDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-10(2)5-6-13-9-12(11(3)4)7-8-14(13)15/h10-14H,5-9,15H2,1-4H3.
What are the key properties of 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine?
2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-4-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 63401726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).