N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine

C12H27N — CID 19083258

IUPACN-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC(C)(C)CC
InChIInChI=1S/C12H27N/c1-7-11(3,4)9-13-10-12(5,6)8-2/h13H,7-10H2,1-6H3
InChIKeyPBFQQVOMXFREDL-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds6

About N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine

N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine (PubChem CID 19083258) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine
PubChem CID19083258
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine
SMILESCCC(C)(C)CNCC(C)(C)CC
InChIInChI=1S/C12H27N/c1-7-11(3,4)9-13-10-12(5,6)8-2/h13H,7-10H2,1-6H3
InChIKeyPBFQQVOMXFREDL-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
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)-2,2-dimethylbutan-1-amine?
The IUPAC name of N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine (CID 19083258) is N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine.
What is the SMILES notation for N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine?
The canonical SMILES for N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine is CCC(C)(C)CNCC(C)(C)CC.
What is the InChIKey of N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine?
The InChIKey is PBFQQVOMXFREDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-11(3,4)9-13-10-12(5,6)8-2/h13H,7-10H2,1-6H3.
What are the key properties of N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine?
N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylbutyl)-2,2-dimethylbutan-1-amine is sourced from PubChem (CID 19083258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).