2-ethyl-N-pentylhexan-1-amine

C13H29N — CID 43081963

IUPAC2-ethyl-N-pentylhexan-1-amine
SMILESCCCCCNCC(CC)CCCC
InChIInChI=1S/C13H29N/c1-4-7-9-11-14-12-13(6-3)10-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyXXXGKDICWAAVMP-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.98
Rot. Bonds10

About 2-ethyl-N-pentylhexan-1-amine

2-ethyl-N-pentylhexan-1-amine (PubChem CID 43081963) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2-ethyl-N-pentylhexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-pentylhexan-1-amine
PubChem CID43081963
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2-ethyl-N-pentylhexan-1-amine
SMILESCCCCCNCC(CC)CCCC
InChIInChI=1S/C13H29N/c1-4-7-9-11-14-12-13(6-3)10-8-5-2/h13-14H,4-12H2,1-3H3
InChIKeyXXXGKDICWAAVMP-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.98
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'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
N-(4-chloropentyl)-2-ethylhexan-1-amine
CID 106121824
5-ethyl-N-propylnonan-1-amine
CID 64504205
N,2-diethylhexan-1-amine
CID 14272988
magnesium;2-ethyl-N-(2-ethylhexyl)hexan-1-amine;dichloride
CID 174776336
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174
3-N-(2-ethylhexyl)propane-1,1,3-triamine
CID 142717096
2-ethyl-N-(4,4,4-trifluorobutyl)hexan-1-amine
CID 115518505
N'-(2-ethylhexyl)-2-methylpentane-1,5-diamine
CID 107815978
1-dodecyl-2-(2-ethylhexyl)hydrazine
CID 57178543
N'-(2-ethylhexyl)-3-methylhexane-1,6-diamine
CID 114004218
magnesium;N-(2-ethylhexyl)-2-propylheptan-1-amine;dichloride
CID 175293817

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-pentylhexan-1-amine?
The IUPAC name of 2-ethyl-N-pentylhexan-1-amine (CID 43081963) is 2-ethyl-N-pentylhexan-1-amine.
What is the SMILES notation for 2-ethyl-N-pentylhexan-1-amine?
The canonical SMILES for 2-ethyl-N-pentylhexan-1-amine is CCCCCNCC(CC)CCCC.
What is the InChIKey of 2-ethyl-N-pentylhexan-1-amine?
The InChIKey is XXXGKDICWAAVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-4-7-9-11-14-12-13(6-3)10-8-5-2/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-ethyl-N-pentylhexan-1-amine?
2-ethyl-N-pentylhexan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.98, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-pentylhexan-1-amine is sourced from PubChem (CID 43081963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).