N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine

C13H29N — CID 89328443

IUPACN-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine
SMILESCC(CC(C)(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C13H29N/c1-11(9-12(2,3)4)14(8)10-13(5,6)7/h11H,9-10H2,1-8H3
InChIKeyJGHNFZRXCZKITP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds3

About N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine

N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine (PubChem CID 89328443) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine
PubChem CID89328443
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC NameN-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine
SMILESCC(CC(C)(C)C)N(C)CC(C)(C)C
InChIInChI=1S/C13H29N/c1-11(9-12(2,3)4)14(8)10-13(5,6)7/h11H,9-10H2,1-8H3
InChIKeyJGHNFZRXCZKITP-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine?
The IUPAC name of N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine (CID 89328443) is N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine is CC(CC(C)(C)C)N(C)CC(C)(C)C.
What is the InChIKey of N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine?
The InChIKey is JGHNFZRXCZKITP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-11(9-12(2,3)4)14(8)10-13(5,6)7/h11H,9-10H2,1-8H3.
What are the key properties of N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine?
N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 89328443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).