N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine

C16H35N — CID 146338331

IUPACN-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine
SMILESCCC(N(CC(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35N/c1-11-13(15(5,6)7)17(16(8,9)10)12-14(2,3)4/h13H,11-12H2,1-10H3
InChIKeyHFUNUPFARUELIQ-UHFFFAOYSA-N
MW241.46 g/mol
LogP4.96
Rot. Bonds3

About N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine

N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine (PubChem CID 146338331) has the molecular formula C16H35N and a molecular weight of 241.46 g/mol. Its IUPAC name is N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine
PubChem CID146338331
Molecular FormulaC16H35N
Molecular Weight241.46 g/mol
Exact Mass241.28
IUPAC NameN-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine
SMILESCCC(N(CC(C)(C)C)C(C)(C)C)C(C)(C)C
InChIInChI=1S/C16H35N/c1-11-13(15(5,6)7)17(16(8,9)10)12-14(2,3)4/h13H,11-12H2,1-10H3
InChIKeyHFUNUPFARUELIQ-UHFFFAOYSA-N
XLogP4.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.46
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine?
The IUPAC name of N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine (CID 146338331) is N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine is CCC(N(CC(C)(C)C)C(C)(C)C)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine?
The InChIKey is HFUNUPFARUELIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N/c1-11-13(15(5,6)7)17(16(8,9)10)12-14(2,3)4/h13H,11-12H2,1-10H3.
What are the key properties of N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine?
N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine has a molecular weight of 241.46 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-(2,2-dimethylpropyl)-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 146338331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).