3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine

C12H27N — CID 20687220

IUPAC3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)N(CCC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-10(2)13(11(3)4)9-8-12(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyYUPZTVYEZPBMDS-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds4

About 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine

3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine (PubChem CID 20687220) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
PubChem CID20687220
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine
SMILESCC(C)N(CCC(C)(C)C)C(C)C
InChIInChI=1S/C12H27N/c1-10(2)13(11(3)4)9-8-12(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyYUPZTVYEZPBMDS-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine (CID 20687220) is 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine is CC(C)N(CCC(C)(C)C)C(C)C.
What is the InChIKey of 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
The InChIKey is YUPZTVYEZPBMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-10(2)13(11(3)4)9-8-12(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine?
3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,N-di(propan-2-yl)butan-1-amine is sourced from PubChem (CID 20687220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).