4-ethyl-N,4-dimethylhexan-1-amine

C10H23N — CID 123387563

IUPAC4-ethyl-N,4-dimethylhexan-1-amine
SMILESCCC(C)(CC)CCCNC
InChIInChI=1S/C10H23N/c1-5-10(3,6-2)8-7-9-11-4/h11H,5-9H2,1-4H3
InChIKeyLLLLRJYFCXWCLR-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds6

About 4-ethyl-N,4-dimethylhexan-1-amine

4-ethyl-N,4-dimethylhexan-1-amine (PubChem CID 123387563) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 4-ethyl-N,4-dimethylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N,4-dimethylhexan-1-amine
PubChem CID123387563
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name4-ethyl-N,4-dimethylhexan-1-amine
SMILESCCC(C)(CC)CCCNC
InChIInChI=1S/C10H23N/c1-5-10(3,6-2)8-7-9-11-4/h11H,5-9H2,1-4H3
InChIKeyLLLLRJYFCXWCLR-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane;3-ethyl-N,3-dimethylpentan-1-amine
CID 156646079
2-ethyl-N,N',2-trimethylbutane-1,4-diamine
CID 148591488
2-ethyl-N,2-dimethylundecan-1-amine
CID 63508847
3-ethyl-3-methyltetradecane
CID 54159558
3-ethyl-3-methyldecane
CID 545661
3-ethyl-3-methyldodecane
CID 56619966
N-methylbutan-1-amine
CID 8068
N,6,6-trimethylnonan-1-amine
CID 118650446
N'-(4,4-dimethylpentyl)-N-methylethane-1,2-diamine
CID 137426453
N,N'-dimethyl-N'-(2-methylbutan-2-yl)butane-1,4-diamine
CID 63964794
4-[2-(2-butoxyethoxy)ethoxy]-2-ethyl-N,2-dimethylbutan-1-amine
CID 104566582
5-ethyl-5-methyl-1-phosphorosoheptane
CID 174908187

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,4-dimethylhexan-1-amine?
The IUPAC name of 4-ethyl-N,4-dimethylhexan-1-amine (CID 123387563) is 4-ethyl-N,4-dimethylhexan-1-amine.
What is the SMILES notation for 4-ethyl-N,4-dimethylhexan-1-amine?
The canonical SMILES for 4-ethyl-N,4-dimethylhexan-1-amine is CCC(C)(CC)CCCNC.
What is the InChIKey of 4-ethyl-N,4-dimethylhexan-1-amine?
The InChIKey is LLLLRJYFCXWCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-5-10(3,6-2)8-7-9-11-4/h11H,5-9H2,1-4H3.
What are the key properties of 4-ethyl-N,4-dimethylhexan-1-amine?
4-ethyl-N,4-dimethylhexan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,4-dimethylhexan-1-amine is sourced from PubChem (CID 123387563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).