1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine

C14H28N4 — CID 106553589

IUPAC1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine
SMILESCC(C)Cn1ccnc1N(C)CCC(N)C(C)C
InChIInChI=1S/C14H28N4/c1-11(2)10-18-9-7-16-14(18)17(5)8-6-13(15)12(3)4/h7,9,11-13H,6,8,10,15H2,1-5H3
InChIKeyCHKSYOYFLNLLEZ-UHFFFAOYSA-N
MW252.41 g/mol
LogP2.35
Rot. Bonds7

About 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine

1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine (PubChem CID 106553589) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine
PubChem CID106553589
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC Name1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine
SMILESCC(C)Cn1ccnc1N(C)CCC(N)C(C)C
InChIInChI=1S/C14H28N4/c1-11(2)10-18-9-7-16-14(18)17(5)8-6-13(15)12(3)4/h7,9,11-13H,6,8,10,15H2,1-5H3
InChIKeyCHKSYOYFLNLLEZ-UHFFFAOYSA-N
XLogP2.35
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N'-dimethyl-N'-[1-(2-methylpropyl)imidazol-2-yl]propane-1,3-diamine
CID 106553235
1-N,4-dimethyl-1-N-(1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553555
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
4-[(3-amino-4-methylpentyl)-methylamino]pyridine-2-carbonitrile
CID 113285617
N-methyl-N-[1-(2-methylpropyl)imidazol-2-yl]-8-azabicyclo[3.2.1]octan-3-amine
CID 106552113
2-bromo-1-(2-methylpropyl)imidazole
CID 58719811
1-N,4-dimethyl-1-N-(6-propylpyrimidin-4-yl)pentane-1,3-diamine
CID 113285625
1-N-[4-ethyl-1-(2-methoxyethyl)imidazol-2-yl]-1-N,4-dimethylpentane-1,3-diamine
CID 106553569
1-N,4-dimethyl-1-N-(4-methyl-1-phenylimidazol-2-yl)pentane-1,3-diamine
CID 106553574
1-N-(4-chloro-1,3-thiazol-2-yl)-1-N,4-dimethylpentane-1,3-diamine
CID 83155925
3-[2-bromoethyl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 80676762
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine (CID 106553589) is 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine is CC(C)Cn1ccnc1N(C)CCC(N)C(C)C.
What is the InChIKey of 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine?
The InChIKey is CHKSYOYFLNLLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-11(2)10-18-9-7-16-14(18)17(5)8-6-13(15)12(3)4/h7,9,11-13H,6,8,10,15H2,1-5H3.
What are the key properties of 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine has a molecular weight of 252.41 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[1-(2-methylpropyl)imidazol-2-yl]pentane-1,3-diamine is sourced from PubChem (CID 106553589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).