2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine

C15H30N4 — CID 79660957

IUPAC2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCN(Cc1cncn1CCC)CC(C)(C)CN
InChIInChI=1S/C15H30N4/c1-5-7-18(12-15(3,4)11-16)10-14-9-17-13-19(14)8-6-2/h9,13H,5-8,10-12,16H2,1-4H3
InChIKeyKVCGMSAGMKJDDH-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.49
Rot. Bonds9

About 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine

2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine (PubChem CID 79660957) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
PubChem CID79660957
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine
SMILESCCCN(Cc1cncn1CCC)CC(C)(C)CN
InChIInChI=1S/C15H30N4/c1-5-7-18(12-15(3,4)11-16)10-14-9-17-13-19(14)8-6-2/h9,13H,5-8,10-12,16H2,1-4H3
InChIKeyKVCGMSAGMKJDDH-UHFFFAOYSA-N
XLogP2.49
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661679
N'-[(1,3-diethylpyrazol-5-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661919
N'-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661433
ethyl 2-[ethyl-[(3-propylimidazol-4-yl)methyl]amino]acetate
CID 66153811
2-methyl-2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propanoic acid
CID 66130860
2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
N'-[(3,5-dichlorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667468
2,2-dimethyl-N'-propyl-N'-(1,3-thiazol-4-ylmethyl)propane-1,3-diamine
CID 79661265
2-[methyl-[(3-propylimidazol-4-yl)methyl]amino]propan-1-ol
CID 104554083
3-[(3-propylimidazol-4-yl)methoxy]propan-1-amine
CID 106938080
4-N-ethyl-4-N-[(3-propylimidazol-4-yl)methyl]cyclohexane-1,4-diamine
CID 79115486
2-[(3-ethylimidazol-4-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 66153386

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine (CID 79660957) is 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine is CCCN(Cc1cncn1CCC)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine?
The InChIKey is KVCGMSAGMKJDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-5-7-18(12-15(3,4)11-16)10-14-9-17-13-19(14)8-6-2/h9,13H,5-8,10-12,16H2,1-4H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-[(3-propylimidazol-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 79660957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).