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

C13H26N4 — CID 63013012

IUPAC2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)Cc1nccn1C
InChIInChI=1S/C13H26N4/c1-11(2)8-13(3,10-14)17(5)9-12-15-6-7-16(12)4/h6-7,11H,8-10,14H2,1-5H3
InChIKeyHBWMJFRIIROTGW-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.62
Rot. Bonds6

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

2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine (PubChem CID 63013012) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
PubChem CID63013012
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
SMILESCC(C)CC(C)(CN)N(C)Cc1nccn1C
InChIInChI=1S/C13H26N4/c1-11(2)8-13(3,10-14)17(5)9-12-15-6-7-16(12)4/h6-7,11H,8-10,14H2,1-5H3
InChIKeyHBWMJFRIIROTGW-UHFFFAOYSA-N
XLogP1.62
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 63015159
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63015692
4-methoxy-2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]butane-1,2-diamine
CID 55149399
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine
CID 63013198
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63015144
2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107471639
N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 81079335
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
2-(aminomethyl)-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butanamide
CID 114290676
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330

Frequently Asked Questions

What is the IUPAC name of 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine (CID 63013012) is 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine is CC(C)CC(C)(CN)N(C)Cc1nccn1C.
What is the InChIKey of 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is HBWMJFRIIROTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-11(2)8-13(3,10-14)17(5)9-12-15-6-7-16(12)4/h6-7,11H,8-10,14H2,1-5H3.
What are the key properties of 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 238.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,4-trimethyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 63013012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).