3-ethyl-N,2,4-trimethylpentan-1-amine

C10H23N — CID 123681641

IUPAC3-ethyl-N,2,4-trimethylpentan-1-amine
SMILESCCC(C(C)C)C(C)CNC
InChIInChI=1S/C10H23N/c1-6-10(8(2)3)9(4)7-11-5/h8-11H,6-7H2,1-5H3
InChIKeyJEWCHXNRCDDICK-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.52
Rot. Bonds5

About 3-ethyl-N,2,4-trimethylpentan-1-amine

3-ethyl-N,2,4-trimethylpentan-1-amine (PubChem CID 123681641) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-ethyl-N,2,4-trimethylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N,2,4-trimethylpentan-1-amine
PubChem CID123681641
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-ethyl-N,2,4-trimethylpentan-1-amine
SMILESCCC(C(C)C)C(C)CNC
InChIInChI=1S/C10H23N/c1-6-10(8(2)3)9(4)7-11-5/h8-11H,6-7H2,1-5H3
InChIKeyJEWCHXNRCDDICK-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
3,4-diethyl-N,2-dimethylheptan-1-amine
CID 123701896
4-ethyl-N,2,3-trimethylhexan-1-amine
CID 81016433
2-ethyl-N,4,5-trimethylhexan-1-amine
CID 123189418
(3S)-2-ethyl-N,3-dimethylpentan-1-amine
CID 163536067
2-N-ethyl-1-N,3-dimethylbutane-1,2-diamine
CID 89484583
(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
N,2-dimethyl-N'-(3-methyl-2-propan-2-ylbutyl)propane-1,3-diamine
CID 102913460
3,6-diethyl-2,7-dimethyl-4,5-di(propan-2-yl)octane
CID 140704954
3-ethyl-2,4-dimethylpentane;2,3,4-trimethylpentane
CID 158873092
butan-2-ol;1-(methylamino)propan-2-ol
CID 143199215
3-ethyl-2,5-dimethyl-4-propan-2-ylheptane
CID 57493037

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,2,4-trimethylpentan-1-amine?
The IUPAC name of 3-ethyl-N,2,4-trimethylpentan-1-amine (CID 123681641) is 3-ethyl-N,2,4-trimethylpentan-1-amine.
What is the SMILES notation for 3-ethyl-N,2,4-trimethylpentan-1-amine?
The canonical SMILES for 3-ethyl-N,2,4-trimethylpentan-1-amine is CCC(C(C)C)C(C)CNC.
What is the InChIKey of 3-ethyl-N,2,4-trimethylpentan-1-amine?
The InChIKey is JEWCHXNRCDDICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-10(8(2)3)9(4)7-11-5/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-N,2,4-trimethylpentan-1-amine?
3-ethyl-N,2,4-trimethylpentan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,2,4-trimethylpentan-1-amine is sourced from PubChem (CID 123681641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).