N-ethyl-N'-hexylethane-1,2-diamine

C10H24N2 — CID 7171940

IUPACN-ethyl-N'-hexylethane-1,2-diamine
SMILESCCCCCCNCCNCC
InChIInChI=1S/C10H24N2/c1-3-5-6-7-8-12-10-9-11-4-2/h11-12H,3-10H2,1-2H3
InChIKeyBTCXINMWPKVQNR-UHFFFAOYSA-N
MW172.32 g/mol
LogP1.77
Rot. Bonds9

About N-ethyl-N'-hexylethane-1,2-diamine

N-ethyl-N'-hexylethane-1,2-diamine (PubChem CID 7171940) has the molecular formula C10H24N2 and a molecular weight of 172.32 g/mol. Its IUPAC name is N-ethyl-N'-hexylethane-1,2-diamine.

Molecular Properties

Compound NameN-ethyl-N'-hexylethane-1,2-diamine
PubChem CID7171940
Molecular FormulaC10H24N2
Molecular Weight172.32 g/mol
Exact Mass172.19
IUPAC NameN-ethyl-N'-hexylethane-1,2-diamine
SMILESCCCCCCNCCNCC
InChIInChI=1S/C10H24N2/c1-3-5-6-7-8-12-10-9-11-4-2/h11-12H,3-10H2,1-2H3
InChIKeyBTCXINMWPKVQNR-UHFFFAOYSA-N
XLogP1.77
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-hexadecylpropane-1,3-diamine
CID 46736046
N-ethyl-N'-octadecylpropane-1,3-diamine
CID 175605866
N-ethyltetradecan-1-amine;hydrochloride
CID 174740266
N'-butyl-N-ethylnonane-1,9-diamine
CID 138750457
ethane;N-ethylhexan-1-amine
CID 143229911
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
lithium;N-ethylhexan-1-amine;hydride
CID 174419930
N-ethyloctan-1-amine;hydrate;hydrobromide
CID 174973287
N-hexyltridecan-1-amine
CID 87659278
N-ethyl-N'-[9-(ethylamino)nonyl]nonane-1,9-diamine
CID 58260221
octane;N-octylnonan-1-amine
CID 145152206
N,N'-diheptylhexane-1,6-diamine
CID 3028571

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-hexylethane-1,2-diamine?
The IUPAC name of N-ethyl-N'-hexylethane-1,2-diamine (CID 7171940) is N-ethyl-N'-hexylethane-1,2-diamine.
What is the SMILES notation for N-ethyl-N'-hexylethane-1,2-diamine?
The canonical SMILES for N-ethyl-N'-hexylethane-1,2-diamine is CCCCCCNCCNCC.
What is the InChIKey of N-ethyl-N'-hexylethane-1,2-diamine?
The InChIKey is BTCXINMWPKVQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2/c1-3-5-6-7-8-12-10-9-11-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of N-ethyl-N'-hexylethane-1,2-diamine?
N-ethyl-N'-hexylethane-1,2-diamine has a molecular weight of 172.32 g/mol, XLogP of 1.77, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-hexylethane-1,2-diamine is sourced from PubChem (CID 7171940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).