2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine

C11H22N4 — CID 103510869

IUPAC2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)NCc1cncn1C
InChIInChI=1S/C11H22N4/c1-4-5-12-6-10(2)14-8-11-7-13-9-15(11)3/h7,9-10,12,14H,4-6,8H2,1-3H3
InChIKeyAKPPVVDPFBDFMS-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.90
Rot. Bonds7

About 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine

2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine (PubChem CID 103510869) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine
PubChem CID103510869
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine
SMILESCCCNCC(C)NCc1cncn1C
InChIInChI=1S/C11H22N4/c1-4-5-12-6-10(2)14-8-11-7-13-9-15(11)3/h7,9-10,12,14H,4-6,8H2,1-3H3
InChIKeyAKPPVVDPFBDFMS-UHFFFAOYSA-N
XLogP0.90
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.90
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

2-[(3-methylimidazol-4-yl)methylamino]propan-1-ol
CID 66117228
1-N,1-N-diethyl-2-N-[(3-methylimidazol-4-yl)methyl]propane-1,2-diamine
CID 63378660
N'-[(3-methylimidazol-4-yl)methyl]-N-propylpropane-1,3-diamine
CID 103510884
2-methyl-N-[2-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 18722286
1-(4-chlorophenyl)-N-[(3-methylimidazol-4-yl)methyl]propan-2-amine
CID 63001280
1-N-propyl-2-N-(pyrimidin-2-ylmethyl)propane-1,2-diamine
CID 114553098
2-[(3-methylimidazol-4-yl)methylamino]propane-1,3-diol
CID 66117929
2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 62998061
(2S)-2-[(3-methylimidazol-4-yl)methylamino]propanoic acid
CID 83193799
(2S)-2-[(3-methylimidazol-4-yl)methylamino]butan-1-ol
CID 104980400
N-ethyl-N'-[(3-methylimidazol-4-yl)methyl]propane-1,3-diamine
CID 103510883
(1R)-N-[(3-methylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405813

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine?
The IUPAC name of 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine (CID 103510869) is 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine?
The canonical SMILES for 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine is CCCNCC(C)NCc1cncn1C.
What is the InChIKey of 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine?
The InChIKey is AKPPVVDPFBDFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-5-12-6-10(2)14-8-11-7-13-9-15(11)3/h7,9-10,12,14H,4-6,8H2,1-3H3.
What are the key properties of 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine?
2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-methylimidazol-4-yl)methyl]-1-N-propylpropane-1,2-diamine is sourced from PubChem (CID 103510869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).