N,N,2-trimethylpentan-1-amine

C8H19N — CID 3600718

IUPACN,N,2-trimethylpentan-1-amine
SMILESCCCC(C)CN(C)C
InChIInChI=1S/C8H19N/c1-5-6-8(2)7-9(3)4/h8H,5-7H2,1-4H3
InChIKeyFYRHPVBMURAQJE-UHFFFAOYSA-N
MW129.25 g/mol
LogP1.98
Rot. Bonds4

About N,N,2-trimethylpentan-1-amine

N,N,2-trimethylpentan-1-amine (PubChem CID 3600718) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is N,N,2-trimethylpentan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethylpentan-1-amine
PubChem CID3600718
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC NameN,N,2-trimethylpentan-1-amine
SMILESCCCC(C)CN(C)C
InChIInChI=1S/C8H19N/c1-5-6-8(2)7-9(3)4/h8H,5-7H2,1-4H3
InChIKeyFYRHPVBMURAQJE-UHFFFAOYSA-N
XLogP1.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethylpentan-1-amine?
The IUPAC name of N,N,2-trimethylpentan-1-amine (CID 3600718) is N,N,2-trimethylpentan-1-amine.
What is the SMILES notation for N,N,2-trimethylpentan-1-amine?
The canonical SMILES for N,N,2-trimethylpentan-1-amine is CCCC(C)CN(C)C.
What is the InChIKey of N,N,2-trimethylpentan-1-amine?
The InChIKey is FYRHPVBMURAQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-5-6-8(2)7-9(3)4/h8H,5-7H2,1-4H3.
What are the key properties of N,N,2-trimethylpentan-1-amine?
N,N,2-trimethylpentan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethylpentan-1-amine is sourced from PubChem (CID 3600718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).