1-(2-methylbutyl)-4-propylcyclohexan-1-amine

C14H29N — CID 63407800

IUPAC1-(2-methylbutyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(CC(C)CC)CC1
InChIInChI=1S/C14H29N/c1-4-6-13-7-9-14(15,10-8-13)11-12(3)5-2/h12-13H,4-11,15H2,1-3H3
InChIKeyYSKRWRDNBRVOTJ-UHFFFAOYSA-N
MW211.39 g/mol
LogP4.11
Rot. Bonds5

About 1-(2-methylbutyl)-4-propylcyclohexan-1-amine

1-(2-methylbutyl)-4-propylcyclohexan-1-amine (PubChem CID 63407800) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 1-(2-methylbutyl)-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methylbutyl)-4-propylcyclohexan-1-amine
PubChem CID63407800
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name1-(2-methylbutyl)-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(N)(CC(C)CC)CC1
InChIInChI=1S/C14H29N/c1-4-6-13-7-9-14(15,10-8-13)11-12(3)5-2/h12-13H,4-11,15H2,1-3H3
InChIKeyYSKRWRDNBRVOTJ-UHFFFAOYSA-N
XLogP4.11
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutyl)-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(2-methylbutyl)-4-propylcyclohexan-1-amine (CID 63407800) is 1-(2-methylbutyl)-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methylbutyl)-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methylbutyl)-4-propylcyclohexan-1-amine is CCCC1CCC(N)(CC(C)CC)CC1.
What is the InChIKey of 1-(2-methylbutyl)-4-propylcyclohexan-1-amine?
The InChIKey is YSKRWRDNBRVOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-4-6-13-7-9-14(15,10-8-13)11-12(3)5-2/h12-13H,4-11,15H2,1-3H3.
What are the key properties of 1-(2-methylbutyl)-4-propylcyclohexan-1-amine?
1-(2-methylbutyl)-4-propylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutyl)-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63407800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).