N-ethyl-N,4,4-trimethylpentan-2-amine

C10H23N — CID 123356436

IUPACN-ethyl-N,4,4-trimethylpentan-2-amine
SMILESCCN(C)C(C)CC(C)(C)C
InChIInChI=1S/C10H23N/c1-7-11(6)9(2)8-10(3,4)5/h9H,7-8H2,1-6H3
InChIKeyPQHUEROVQLZHFO-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.76
Rot. Bonds3

About N-ethyl-N,4,4-trimethylpentan-2-amine

N-ethyl-N,4,4-trimethylpentan-2-amine (PubChem CID 123356436) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is N-ethyl-N,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound NameN-ethyl-N,4,4-trimethylpentan-2-amine
PubChem CID123356436
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC NameN-ethyl-N,4,4-trimethylpentan-2-amine
SMILESCCN(C)C(C)CC(C)(C)C
InChIInChI=1S/C10H23N/c1-7-11(6)9(2)8-10(3,4)5/h9H,7-8H2,1-6H3
InChIKeyPQHUEROVQLZHFO-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-ethyl-N,4,4-trimethylpentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

n,n,2,4,4-Pentamethylpentan-2-amine
CID 221336
N,N-Diethyl-tert-octylamine,98
CID 3341692
N,N-dibutyl-2,4,4-trimethylpentan-2-amine
CID 139722875
2-tert-Butyl-1,3-dimethylaziridine
CID 287977
1,2,4,4-Tetramethylpyrrolidine
CID 12172228
Piperidine, 1,2,5,5-tetramethyl-
CID 12172229
N,N,3,3-tetramethylbutan-2-amine
CID 20682214
N-butyl-2,4,4-trimethyl-N-pentylpentan-2-amine
CID 170848139
N,N,2,2,4,4-Hexamethylpentylamine
CID 118353
N,N,2,2,4,4-hexamethylpentan-3-amine
CID 12818199
(3S)-N,5,5-trimethyl-N-(2,2,2-trifluoroethyl)hexan-3-amine
CID 166869742
(3S)-4-fluoro-N,N,5,5-tetramethylhexan-3-amine
CID 166870103

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,4,4-trimethylpentan-2-amine?
The IUPAC name of N-ethyl-N,4,4-trimethylpentan-2-amine (CID 123356436) is N-ethyl-N,4,4-trimethylpentan-2-amine.
What is the SMILES notation for N-ethyl-N,4,4-trimethylpentan-2-amine?
The canonical SMILES for N-ethyl-N,4,4-trimethylpentan-2-amine is CCN(C)C(C)CC(C)(C)C.
What is the InChIKey of N-ethyl-N,4,4-trimethylpentan-2-amine?
The InChIKey is PQHUEROVQLZHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-7-11(6)9(2)8-10(3,4)5/h9H,7-8H2,1-6H3.
What are the key properties of N-ethyl-N,4,4-trimethylpentan-2-amine?
N-ethyl-N,4,4-trimethylpentan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 123356436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).