N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine

C14H29N — CID 103460870

IUPACN-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine
SMILESCCC(C)(C)CNC1CCC(C)CC1C
InChIInChI=1S/C14H29N/c1-6-14(4,5)10-15-13-8-7-11(2)9-12(13)3/h11-13,15H,6-10H2,1-5H3
InChIKeyROPNWFFTHFSXLR-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.84
Rot. Bonds4

About N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine

N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine (PubChem CID 103460870) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine
PubChem CID103460870
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC NameN-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine
SMILESCCC(C)(C)CNC1CCC(C)CC1C
InChIInChI=1S/C14H29N/c1-6-14(4,5)10-15-13-8-7-11(2)9-12(13)3/h11-13,15H,6-10H2,1-5H3
InChIKeyROPNWFFTHFSXLR-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 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 ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine (CID 103460870) is N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine is CCC(C)(C)CNC1CCC(C)CC1C.
What is the InChIKey of N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine?
The InChIKey is ROPNWFFTHFSXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-6-14(4,5)10-15-13-8-7-11(2)9-12(13)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine?
N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine has a molecular weight of 211.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 103460870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).