2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine

C13H29N — CID 18331994

IUPAC2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
SMILESCCC(C)(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H29N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h14H,9-10H2,1-8H3
InChIKeyRMRFHMLPQSZGLP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds4

About 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine

2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine (PubChem CID 18331994) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
PubChem CID18331994
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine
SMILESCCC(C)(C)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H29N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h14H,9-10H2,1-8H3
InChIKeyRMRFHMLPQSZGLP-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine (CID 18331994) is 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine is CCC(C)(C)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
The InChIKey is RMRFHMLPQSZGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-9-12(5,6)14-13(7,8)10-11(2,3)4/h14H,9-10H2,1-8H3.
What are the key properties of 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine?
2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-(2-methylbutan-2-yl)pentan-2-amine is sourced from PubChem (CID 18331994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).