2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

C12H27N — CID 83138954

IUPAC2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-7-11(12(4,5)6)9-13-8-10(2)3/h10-11,13H,7-9H2,1-6H3
InChIKeyKRMOYIMOMJWXPK-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.30
Rot. Bonds5

About 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine

2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 83138954) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID83138954
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCCC(CNCC(C)C)C(C)(C)C
InChIInChI=1S/C12H27N/c1-7-11(12(4,5)6)9-13-8-10(2)3/h10-11,13H,7-9H2,1-6H3
InChIKeyKRMOYIMOMJWXPK-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine (CID 83138954) is 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is CCC(CNCC(C)C)C(C)(C)C.
What is the InChIKey of 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is KRMOYIMOMJWXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-7-11(12(4,5)6)9-13-8-10(2)3/h10-11,13H,7-9H2,1-6H3.
What are the key properties of 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine?
2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 83138954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).