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

C12H24N4 — CID 115317863

IUPAC1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1nccn1C
InChIInChI=1S/C12H24N4/c1-10(2)11(13)5-7-15(3)9-12-14-6-8-16(12)4/h6,8,10-11H,5,7,9,13H2,1-4H3
InChIKeyFLZMWDGMIGUNKJ-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.23
Rot. Bonds6

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

1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine (PubChem CID 115317863) has the molecular formula C12H24N4 and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
PubChem CID115317863
Molecular FormulaC12H24N4
Molecular Weight224.35 g/mol
Exact Mass224.20
IUPAC Name1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)Cc1nccn1C
InChIInChI=1S/C12H24N4/c1-10(2)11(13)5-7-15(3)9-12-14-6-8-16(12)4/h6,8,10-11H,5,7,9,13H2,1-4H3
InChIKeyFLZMWDGMIGUNKJ-UHFFFAOYSA-N
XLogP1.23
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
2-amino-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]butan-1-ol
CID 64792480
2-ethyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079451
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-1-(2-methylphenyl)propane-1,3-diamine
CID 63025144
1-N-methyl-1-N-[2-(1-methylimidazol-2-yl)ethyl]propane-1,2-diamine
CID 114531856
1-(3-chlorophenyl)-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025487
6-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]hexan-1-amine
CID 63026955
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]-N-pentan-3-ylethane-1,2-diamine
CID 63025196
2-methyl-3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanethioamide
CID 63015012
3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanimidamide
CID 63013799

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine (CID 115317863) is 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine is CC(C)C(N)CCN(C)Cc1nccn1C.
What is the InChIKey of 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine?
The InChIKey is FLZMWDGMIGUNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4/c1-10(2)11(13)5-7-15(3)9-12-14-6-8-16(12)4/h6,8,10-11H,5,7,9,13H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine has a molecular weight of 224.35 g/mol, XLogP of 1.23, 6 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-methylimidazol-2-yl)methyl]pentane-1,3-diamine is sourced from PubChem (CID 115317863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).