N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine

C12H26N2 — CID 28599551

IUPACN'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
SMILESC=C(C)CN(CC)CCCCCCN
InChIInChI=1S/C12H26N2/c1-4-14(11-12(2)3)10-8-6-5-7-9-13/h2,4-11,13H2,1,3H3
InChIKeyLZBZJIHZMQNMGH-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.40
Rot. Bonds9

About N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine

N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine (PubChem CID 28599551) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
PubChem CID28599551
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine
SMILESC=C(C)CN(CC)CCCCCCN
InChIInChI=1S/C12H26N2/c1-4-14(11-12(2)3)10-8-6-5-7-9-13/h2,4-11,13H2,1,3H3
InChIKeyLZBZJIHZMQNMGH-UHFFFAOYSA-N
XLogP2.40
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N',N'-diethylnonane-1,9-diamine
CID 22055140
N'-ethyl-N'-(2-methylprop-2-enyl)-N-propan-2-ylpentane-1,5-diamine
CID 62417661
N'-(3-aminopropyl)-N'-ethylbutane-1,4-diamine
CID 86127606
N',2-diethyl-N'-(2-methylprop-2-enyl)butane-1,4-diamine
CID 81079886
6-amino-N-ethyl-N-(2-methylprop-2-enyl)hexanamide
CID 24701503
N',N'-bis(6-aminohexyl)hexane-1,6-diamine
CID 21260857
N,N-diethylicos-9-ene-1,20-diamine
CID 154402145
N'-(7-aminoheptyl)-N'-hexadecyloctane-1,8-diamine
CID 161025353
N',N'-dioctadecylhexane-1,6-diamine
CID 142629874
N',N'-di(nonyl)pentane-1,5-diamine
CID 142498859
N,N-didodecyldodecan-1-amine;dodecan-1-amine
CID 161417481
N'-ethyl-N'-(2-methoxyethyl)hexane-1,6-diamine
CID 61447800

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine?
The IUPAC name of N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine (CID 28599551) is N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine?
The canonical SMILES for N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine is C=C(C)CN(CC)CCCCCCN.
What is the InChIKey of N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine?
The InChIKey is LZBZJIHZMQNMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-4-14(11-12(2)3)10-8-6-5-7-9-13/h2,4-11,13H2,1,3H3.
What are the key properties of N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine?
N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-methylprop-2-enyl)hexane-1,6-diamine is sourced from PubChem (CID 28599551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).