N-ethyl-4-methyl-N-propylhexan-1-amine

C12H27N — CID 142891130

IUPACN-ethyl-4-methyl-N-propylhexan-1-amine
SMILESCCCN(CC)CCCC(C)CC
InChIInChI=1S/C12H27N/c1-5-10-13(7-3)11-8-9-12(4)6-2/h12H,5-11H2,1-4H3
InChIKeyGDUNRIHDKBLVSU-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds8

About N-ethyl-4-methyl-N-propylhexan-1-amine

N-ethyl-4-methyl-N-propylhexan-1-amine (PubChem CID 142891130) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is N-ethyl-4-methyl-N-propylhexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-N-propylhexan-1-amine
PubChem CID142891130
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC NameN-ethyl-4-methyl-N-propylhexan-1-amine
SMILESCCCN(CC)CCCC(C)CC
InChIInChI=1S/C12H27N/c1-5-10-13(7-3)11-8-9-12(4)6-2/h12H,5-11H2,1-4H3
InChIKeyGDUNRIHDKBLVSU-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-3-methyl-N-propylpentan-1-amine
CID 126690332
N-butyl-N-(7-methylnonyl)tetradecan-1-amine
CID 172562236
N-ethyl-3-methyl-N-propylbutan-1-amine
CID 89085287
3-methyl-N-(2-methylbutyl)-N-propylpentan-1-amine
CID 145192300
N-ethyl-N-propylbutan-1-amine;pentane
CID 143329949
ethane;N-ethyl-N-propylpropan-1-amine;hexane
CID 167521099
N,N-diethylpropan-1-amine;2-methylpropane
CID 143334042
2,3-dimethylpentane;N-ethyl-N-propyldecan-1-amine
CID 160564373
(3R,7R)-3,7-dimethylnonane
CID 42626759
N,N-dimethylmethanamine;3-methylheptane
CID 143169890
N-ethyl-N-propyldecan-1-amine
CID 56933807
1-N-ethyl-1-N-propylbutane-1,3-diamine
CID 43268683

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-N-propylhexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-N-propylhexan-1-amine (CID 142891130) is N-ethyl-4-methyl-N-propylhexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-N-propylhexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-N-propylhexan-1-amine is CCCN(CC)CCCC(C)CC.
What is the InChIKey of N-ethyl-4-methyl-N-propylhexan-1-amine?
The InChIKey is GDUNRIHDKBLVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-10-13(7-3)11-8-9-12(4)6-2/h12H,5-11H2,1-4H3.
What are the key properties of N-ethyl-4-methyl-N-propylhexan-1-amine?
N-ethyl-4-methyl-N-propylhexan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-N-propylhexan-1-amine is sourced from PubChem (CID 142891130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).