3-ethyl-N,4-dimethylhexan-2-amine

C10H23N — CID 163950897

IUPAC3-ethyl-N,4-dimethylhexan-2-amine
SMILESCCC(C)C(CC)C(C)NC
InChIInChI=1S/C10H23N/c1-6-8(3)10(7-2)9(4)11-5/h8-11H,6-7H2,1-5H3
InChIKeyRZFJYSYLEZLGSZ-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.67
Rot. Bonds5

About 3-ethyl-N,4-dimethylhexan-2-amine

3-ethyl-N,4-dimethylhexan-2-amine (PubChem CID 163950897) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-ethyl-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name3-ethyl-N,4-dimethylhexan-2-amine
PubChem CID163950897
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-ethyl-N,4-dimethylhexan-2-amine
SMILESCCC(C)C(CC)C(C)NC
InChIInChI=1S/C10H23N/c1-6-8(3)10(7-2)9(4)11-5/h8-11H,6-7H2,1-5H3
InChIKeyRZFJYSYLEZLGSZ-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3-ethyl-2,4-dimethylhexane
CID 59911226
(4R,5R,6R)-5-ethyl-N,6-dimethyloct-1-en-4-amine
CID 138636088
N,4-dimethylhexan-3-amine
CID 63559808
2-ethyl-3-methylpentane-1,1-diol
CID 151142103
5-ethoxy-3-ethyl-N-methylpentan-2-amine
CID 60999751
3-ethyl-N,2,4-trimethylpentan-1-amine
CID 123681641
(3R,4R)-3,4-dimethylhexane;methane
CID 159261482
(2R,4R)-2-methoxy-N,4-dimethylhexan-3-amine
CID 89339327
N,2,3,5-tetramethylheptan-4-amine
CID 105017383
[4,5-bis(carboxyamino)-3-ethyl-6-methyloctan-2-yl]carbamic acid;(3-ethyl-4-methylhexan-2-yl)carbamic acid;3-methylpentan-2-ylcarbamic acid
CID 163887579
N-methyl-3-[[2-methyl-3-(methylamino)pentoxy]methyl]pentan-2-amine
CID 163446158
3-[[2-methyl-3-(methylamino)butoxy]methyl]pentan-2-amine
CID 163528878

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,4-dimethylhexan-2-amine?
The IUPAC name of 3-ethyl-N,4-dimethylhexan-2-amine (CID 163950897) is 3-ethyl-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 3-ethyl-N,4-dimethylhexan-2-amine?
The canonical SMILES for 3-ethyl-N,4-dimethylhexan-2-amine is CCC(C)C(CC)C(C)NC.
What is the InChIKey of 3-ethyl-N,4-dimethylhexan-2-amine?
The InChIKey is RZFJYSYLEZLGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-8(3)10(7-2)9(4)11-5/h8-11H,6-7H2,1-5H3.
What are the key properties of 3-ethyl-N,4-dimethylhexan-2-amine?
3-ethyl-N,4-dimethylhexan-2-amine has a molecular weight of 157.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 163950897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).