2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine

C12H27N — CID 59066833

IUPAC2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCCC(C)(C)CN(C(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-8-12(6,7)9-13(10(2)3)11(4)5/h10-11H,8-9H2,1-7H3
InChIKeyRGAOMAXKYJEJHB-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds5

About 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine

2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 59066833) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine
PubChem CID59066833
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCCC(C)(C)CN(C(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-8-12(6,7)9-13(10(2)3)11(4)5/h10-11H,8-9H2,1-7H3
InChIKeyRGAOMAXKYJEJHB-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine (CID 59066833) is 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine is CCC(C)(C)CN(C(C)C)C(C)C.
What is the InChIKey of 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is RGAOMAXKYJEJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-8-12(6,7)9-13(10(2)3)11(4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 59066833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).