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

C10H23N — CID 138660886

IUPAC3-ethyl-N,2-dimethylhexan-3-amine
SMILESCCCC(CC)(NC)C(C)C
InChIInChI=1S/C10H23N/c1-6-8-10(7-2,11-5)9(3)4/h9,11H,6-8H2,1-5H3
InChIKeyAGBDWWWERDBYIP-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds5

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

3-ethyl-N,2-dimethylhexan-3-amine (PubChem CID 138660886) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-ethyl-N,2-dimethylhexan-3-amine.

Molecular Properties

Compound Name3-ethyl-N,2-dimethylhexan-3-amine
PubChem CID138660886
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-ethyl-N,2-dimethylhexan-3-amine
SMILESCCCC(CC)(NC)C(C)C
InChIInChI=1S/C10H23N/c1-6-8-10(7-2,11-5)9(3)4/h9,11H,6-8H2,1-5H3
InChIKeyAGBDWWWERDBYIP-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-ethyl-N,4-dimethyl-1-methylsulfanylpentan-3-amine
CID 145495425
4-ethyl-N,7-dimethyloctan-4-amine
CID 167249904
(3S)-3-ethyl-2,3-dimethylhexane
CID 158040075
alumane;2-N,3-N,3-N'-trimethylhexane-2,3,3-triamine
CID 174343884
N,3-dimethylhexan-3-amine;hydrochloride
CID 138400484
N,3-dimethyl-3-propan-2-ylhexan-1-amine
CID 130453352
3-ethyl-2,2-dimethyl-3-propan-2-ylhexane
CID 57491483
N,4-dimethylheptan-4-amine;ethane
CID 143105274
(3S)-3-fluoro-2,3-dimethylhexane
CID 169026252
1-N,3-N-dimethyl-2,3-bis(oxiran-2-ylmethyl)hexane-1,3-diamine
CID 174921359
1-(3-methylhexan-3-yloxy)ethanol
CID 87753364
3-N,6-dimethyl-3-propylheptane-1,3-diamine
CID 167122452

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N,2-dimethylhexan-3-amine?
The IUPAC name of 3-ethyl-N,2-dimethylhexan-3-amine (CID 138660886) is 3-ethyl-N,2-dimethylhexan-3-amine.
What is the SMILES notation for 3-ethyl-N,2-dimethylhexan-3-amine?
The canonical SMILES for 3-ethyl-N,2-dimethylhexan-3-amine is CCCC(CC)(NC)C(C)C.
What is the InChIKey of 3-ethyl-N,2-dimethylhexan-3-amine?
The InChIKey is AGBDWWWERDBYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-6-8-10(7-2,11-5)9(3)4/h9,11H,6-8H2,1-5H3.
What are the key properties of 3-ethyl-N,2-dimethylhexan-3-amine?
3-ethyl-N,2-dimethylhexan-3-amine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 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-dimethylhexan-3-amine is sourced from PubChem (CID 138660886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).