2,4-diethyl-N-(2-methylpropyl)hexan-1-amine

C14H31N — CID 82930447

IUPAC2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CC)CNCC(C)C
InChIInChI=1S/C14H31N/c1-6-13(7-2)9-14(8-3)11-15-10-12(4)5/h12-15H,6-11H2,1-5H3
InChIKeyIJBPDDPKNZBNDM-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.08
Rot. Bonds9

About 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine

2,4-diethyl-N-(2-methylpropyl)hexan-1-amine (PubChem CID 82930447) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
PubChem CID82930447
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,4-diethyl-N-(2-methylpropyl)hexan-1-amine
SMILESCCC(CC)CC(CC)CNCC(C)C
InChIInChI=1S/C14H31N/c1-6-13(7-2)9-14(8-3)11-15-10-12(4)5/h12-15H,6-11H2,1-5H3
InChIKeyIJBPDDPKNZBNDM-UHFFFAOYSA-N
XLogP4.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-4-methyl-N-(2-methylpropyl)heptan-1-amine
CID 63520986
2-ethyl-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 62515552
4-methyl-N,2-bis(2-methylpropyl)hexan-1-amine
CID 63498321
CID 175939227
CID 175939227
(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
2-methyl-N-(2-methylpropyl)propan-1-amine;hydrochloride
CID 519535
4-ethyl-2-[(3-methylphenyl)methyl]-N-(2-methylpropyl)hexan-1-amine
CID 82925868
2-cyclopentyl-4-ethyl-N-(2-methylpropyl)hexan-1-amine
CID 112570163
2-ethyl-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 62516582
N-ethyl-N-(2-ethylbutyl)-2-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 63491213
(2S)-1-(2-methylpropylamino)butan-2-ol
CID 130500218

Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
The IUPAC name of 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine (CID 82930447) is 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine.
What is the SMILES notation for 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
The canonical SMILES for 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine is CCC(CC)CC(CC)CNCC(C)C.
What is the InChIKey of 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
The InChIKey is IJBPDDPKNZBNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-6-13(7-2)9-14(8-3)11-15-10-12(4)5/h12-15H,6-11H2,1-5H3.
What are the key properties of 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine?
2,4-diethyl-N-(2-methylpropyl)hexan-1-amine has a molecular weight of 213.41 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-N-(2-methylpropyl)hexan-1-amine is sourced from PubChem (CID 82930447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).