2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine

C15H30N4 — CID 114530408

IUPAC2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(CCc1nccn1C)NC
InChIInChI=1S/C15H30N4/c1-7-19(8-2)15(3,4)13(16-5)9-10-14-17-11-12-18(14)6/h11-13,16H,7-10H2,1-6H3
InChIKeySRLIANAEVUHJMN-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.06
Rot. Bonds8

About 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine

2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine (PubChem CID 114530408) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
PubChem CID114530408
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine
SMILESCCN(CC)C(C)(C)C(CCc1nccn1C)NC
InChIInChI=1S/C15H30N4/c1-7-19(8-2)15(3,4)13(16-5)9-10-14-17-11-12-18(14)6/h11-13,16H,7-10H2,1-6H3
InChIKeySRLIANAEVUHJMN-UHFFFAOYSA-N
XLogP2.06
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylpentan-3-amine
CID 114530416
N,4-dimethyl-1-(1-methylimidazol-2-yl)-4-piperidin-1-ylhexan-3-amine
CID 114530433
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
1-N,1-N,3-N-trimethyl-5-(1-methylimidazol-2-yl)pentane-1,3-diamine
CID 114530623
N-methyl-4-(1-methylimidazol-2-yl)-1-methylsulfanylbutan-2-amine
CID 114530130
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
N,4-dimethyl-6-(1-methylimidazol-2-yl)hexan-2-amine
CID 114532144
2-N,2-N-diethyl-1-N,2-dimethyl-1-(1-propylimidazol-2-yl)propane-1,2-diamine
CID 79055749
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine?
The IUPAC name of 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine (CID 114530408) is 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine?
The canonical SMILES for 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine is CCN(CC)C(C)(C)C(CCc1nccn1C)NC.
What is the InChIKey of 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine?
The InChIKey is SRLIANAEVUHJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-19(8-2)15(3,4)13(16-5)9-10-14-17-11-12-18(14)6/h11-13,16H,7-10H2,1-6H3.
What are the key properties of 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine?
2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-3-N,2-dimethyl-5-(1-methylimidazol-2-yl)pentane-2,3-diamine is sourced from PubChem (CID 114530408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).