4-ethyl-N,2-dipropylhexan-1-amine

C14H31N — CID 82930255

IUPAC4-ethyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(CCC)CC(CC)CC
InChIInChI=1S/C14H31N/c1-5-9-14(12-15-10-6-2)11-13(7-3)8-4/h13-15H,5-12H2,1-4H3
InChIKeyVLKKKMJACGJNSF-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.23
Rot. Bonds10

About 4-ethyl-N,2-dipropylhexan-1-amine

4-ethyl-N,2-dipropylhexan-1-amine (PubChem CID 82930255) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 4-ethyl-N,2-dipropylhexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N,2-dipropylhexan-1-amine
PubChem CID82930255
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name4-ethyl-N,2-dipropylhexan-1-amine
SMILESCCCNCC(CCC)CC(CC)CC
InChIInChI=1S/C14H31N/c1-5-9-14(12-15-10-6-2)11-13(7-3)8-4/h13-15H,5-12H2,1-4H3
InChIKeyVLKKKMJACGJNSF-UHFFFAOYSA-N
XLogP4.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.23
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

N,2-dipropylpentan-1-amine
CID 62530512
5-methyl-N,2-dipropylhexan-1-amine
CID 63497105
2-ethyl-4,5-dimethyl-N-propylhexan-1-amine
CID 134267179
N,2-dipropyloctan-1-amine
CID 63497286
2-ethyl-N-(2-methoxyethyl)pentan-1-amine
CID 62718813
2-ethyl-4-ethylsulfonyl-N-propylbutan-1-amine
CID 62529760
3-ethyl-N-(3-ethylhexyl)hexan-1-amine
CID 19083272
2-(ethoxymethyl)-N-propylbutan-1-amine
CID 103984257
5,5-dimethyl-2-(2-methylpropyl)-N-propylhexan-1-amine
CID 63496033
(2S,4S)-N-[(2S,4S)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464990
(2S,4S)-N-[(2R,4R)-2,4-diethyloctyl]-2,4-diethyloctan-1-amine
CID 97464987
5-methoxy-5-methyl-N,2-dipropylhexan-1-amine
CID 103036662

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,2-dipropylhexan-1-amine?
The IUPAC name of 4-ethyl-N,2-dipropylhexan-1-amine (CID 82930255) is 4-ethyl-N,2-dipropylhexan-1-amine.
What is the SMILES notation for 4-ethyl-N,2-dipropylhexan-1-amine?
The canonical SMILES for 4-ethyl-N,2-dipropylhexan-1-amine is CCCNCC(CCC)CC(CC)CC.
What is the InChIKey of 4-ethyl-N,2-dipropylhexan-1-amine?
The InChIKey is VLKKKMJACGJNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-5-9-14(12-15-10-6-2)11-13(7-3)8-4/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-ethyl-N,2-dipropylhexan-1-amine?
4-ethyl-N,2-dipropylhexan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,2-dipropylhexan-1-amine is sourced from PubChem (CID 82930255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).