N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine

C11H22N4 — CID 53216159

IUPACN'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNCCCn1ccnc1
InChIInChI=1S/C11H22N4/c1-2-4-12-6-7-13-5-3-9-15-10-8-14-11-15/h8,10-13H,2-7,9H2,1H3
InChIKeySPHLWNUJEQALRW-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.86
Rot. Bonds9

About N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine

N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine (PubChem CID 53216159) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
PubChem CID53216159
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
SMILESCCCNCCNCCCn1ccnc1
InChIInChI=1S/C11H22N4/c1-2-4-12-6-7-13-5-3-9-15-10-8-14-11-15/h8,10-13H,2-7,9H2,1H3
InChIKeySPHLWNUJEQALRW-UHFFFAOYSA-N
XLogP0.86
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
1-(3-imidazol-1-ylpropyl)-3-propylthiourea
CID 17374308
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
CID 114004575
sodium;1-butylimidazole;bromide
CID 175480877
5-[(3-imidazol-1-ylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 102536401
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
N-(3-imidazol-1-ylpropyl)ethanesulfonamide
CID 19685069
N-butyl-N'-(3-imidazol-1-ylpropyl)oxamide
CID 565508
2-(chloromethyl)-2-ethyl-N-(3-imidazol-1-ylpropyl)butan-1-amine
CID 106252494
1-nonylimidazole;hydrobromide
CID 175434544
bis(1-butylimidazole);heptane;dihydrobromide
CID 175107148

Frequently Asked Questions

What is the IUPAC name of N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine?
The IUPAC name of N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine (CID 53216159) is N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine.
What is the SMILES notation for N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine?
The canonical SMILES for N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine is CCCNCCNCCCn1ccnc1.
What is the InChIKey of N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine?
The InChIKey is SPHLWNUJEQALRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-2-4-12-6-7-13-5-3-9-15-10-8-14-11-15/h8,10-13H,2-7,9H2,1H3.
What are the key properties of N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine?
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine is sourced from PubChem (CID 53216159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).