N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine

C11H24N4O2 — CID 141141833

IUPACN'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine
SMILESCCCNC(=C[N+](=O)[O-])NCCCCCCN
InChIInChI=1S/C11H24N4O2/c1-2-8-13-11(10-15(16)17)14-9-6-4-3-5-7-12/h10,13-14H,2-9,12H2,1H3
InChIKeyJNVGVYAQVJLOIB-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.17
Rot. Bonds11

About N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine

N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine (PubChem CID 141141833) has the molecular formula C11H24N4O2 and a molecular weight of 244.34 g/mol. Its IUPAC name is N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine.

Molecular Properties

Compound NameN'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine
PubChem CID141141833
Molecular FormulaC11H24N4O2
Molecular Weight244.34 g/mol
Exact Mass244.19
IUPAC NameN'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine
SMILESCCCNC(=C[N+](=O)[O-])NCCCCCCN
InChIInChI=1S/C11H24N4O2/c1-2-8-13-11(10-15(16)17)14-9-6-4-3-5-7-12/h10,13-14H,2-9,12H2,1H3
InChIKeyJNVGVYAQVJLOIB-UHFFFAOYSA-N
XLogP1.17
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tris(nitric acid);tris(octan-1-amine)
CID 173444772
1-(4-aminobutyl)-3-[4-(hexadecylcarbamoylamino)butyl]urea
CID 101384576
N-(4-aminobutyl)tetracosanamide
CID 171117181
N-(6-aminohexyl)dodecanamide
CID 13030555
N-(9-aminononyl)nonanamide
CID 154091260
(E)-2-nitro-1-N-pentyl-1-N'-(pyridin-3-ylmethyl)ethene-1,1-diamine
CID 15452246
6-amino-N-pentylhexanamide;hydrochloride
CID 51041459
5-amino-N-dodecylpentanamide;hydrochloride
CID 135363918
6-amino-N-butylhexanamide
CID 14914743
7-amino-N-butylheptanamide
CID 24689519
N'-(3-aminopropyl)-N-propylbutanediamide
CID 119407981
1-(3-aminopropyl)-3-octadecylurea
CID 54170703

Frequently Asked Questions

What is the IUPAC name of N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine?
The IUPAC name of N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine (CID 141141833) is N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine.
What is the SMILES notation for N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine?
The canonical SMILES for N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine is CCCNC(=C[N+](=O)[O-])NCCCCCCN.
What is the InChIKey of N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine?
The InChIKey is JNVGVYAQVJLOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O2/c1-2-8-13-11(10-15(16)17)14-9-6-4-3-5-7-12/h10,13-14H,2-9,12H2,1H3.
What are the key properties of N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine?
N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine has a molecular weight of 244.34 g/mol, XLogP of 1.17, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-nitro-1-(propylamino)ethenyl]hexane-1,6-diamine is sourced from PubChem (CID 141141833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).