4-ethyl-5-methyl-N-propylhexan-3-amine

C12H27N — CID 79307988

IUPAC4-ethyl-5-methyl-N-propylhexan-3-amine
SMILESCCCNC(CC)C(CC)C(C)C
InChIInChI=1S/C12H27N/c1-6-9-13-12(8-3)11(7-2)10(4)5/h10-13H,6-9H2,1-5H3
InChIKeyGDGACMZMUQOBDC-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.45
Rot. Bonds7

About 4-ethyl-5-methyl-N-propylhexan-3-amine

4-ethyl-5-methyl-N-propylhexan-3-amine (PubChem CID 79307988) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 4-ethyl-5-methyl-N-propylhexan-3-amine.

Molecular Properties

Compound Name4-ethyl-5-methyl-N-propylhexan-3-amine
PubChem CID79307988
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name4-ethyl-5-methyl-N-propylhexan-3-amine
SMILESCCCNC(CC)C(CC)C(C)C
InChIInChI=1S/C12H27N/c1-6-9-13-12(8-3)11(7-2)10(4)5/h10-13H,6-9H2,1-5H3
InChIKeyGDGACMZMUQOBDC-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-methyl-2-(propylamino)butan-1-ol
CID 79254888
1-N-ethyl-2-methyl-1-N'-propylpropane-1,1-diamine
CID 154626432
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
1-N,1-N,3-trimethyl-2-N-propylbutane-1,2-diamine
CID 61477298
3-[3-(propylamino)pentan-2-ylsulfanyl]butan-2-ol
CID 107772704
3-methyl-1-methylsulfanyl-N-propylpentan-2-amine
CID 79445388
3,6-dimethyl-N-propyloctan-4-amine
CID 63716674
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
2-methyl-N-propylhept-5-yn-3-amine
CID 62312371
2-methyl-N-(2-propoxyethyl)pentan-3-amine
CID 106451788
2-N-methyl-2-N-(2-methylbutan-2-yl)-3-N-propylpentane-2,3-diamine
CID 63983796
ethane;1-N-ethyl-1-N'-propylethane-1,1-diamine
CID 143131387

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-N-propylhexan-3-amine?
The IUPAC name of 4-ethyl-5-methyl-N-propylhexan-3-amine (CID 79307988) is 4-ethyl-5-methyl-N-propylhexan-3-amine.
What is the SMILES notation for 4-ethyl-5-methyl-N-propylhexan-3-amine?
The canonical SMILES for 4-ethyl-5-methyl-N-propylhexan-3-amine is CCCNC(CC)C(CC)C(C)C.
What is the InChIKey of 4-ethyl-5-methyl-N-propylhexan-3-amine?
The InChIKey is GDGACMZMUQOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-9-13-12(8-3)11(7-2)10(4)5/h10-13H,6-9H2,1-5H3.
What are the key properties of 4-ethyl-5-methyl-N-propylhexan-3-amine?
4-ethyl-5-methyl-N-propylhexan-3-amine has a molecular weight of 185.35 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-N-propylhexan-3-amine is sourced from PubChem (CID 79307988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).