1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine

C15H30N4 — CID 83054407

IUPAC1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
SMILESCCCC(CNC(C)(C)C)N(C)Cc1nccn1C
InChIInChI=1S/C15H30N4/c1-7-8-13(11-17-15(2,3)4)19(6)12-14-16-9-10-18(14)5/h9-10,13,17H,7-8,11-12H2,1-6H3
InChIKeyNEDMZTAWGCVWAS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.41
Rot. Bonds7

About 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine

1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine (PubChem CID 83054407) has the molecular formula C15H30N4 and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
PubChem CID83054407
Molecular FormulaC15H30N4
Molecular Weight266.43 g/mol
Exact Mass266.25
IUPAC Name1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine
SMILESCCCC(CNC(C)(C)C)N(C)Cc1nccn1C
InChIInChI=1S/C15H30N4/c1-7-8-13(11-17-15(2,3)4)19(6)12-14-16-9-10-18(14)5/h9-10,13,17H,7-8,11-12H2,1-6H3
InChIKeyNEDMZTAWGCVWAS-UHFFFAOYSA-N
XLogP2.41
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]hexane-1,2-diamine
CID 63015333
N-tert-butyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 63024969
N-tert-butyl-N',2,2-trimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63024792
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]-1-N-pentylpropane-1,2-diamine
CID 55144619
2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 63014615
N-tert-butyl-N'-methyl-N'-[(1-methylimidazol-2-yl)methyl]butane-1,4-diamine
CID 63025347
N-tert-butyl-N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114528242
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]-1-N-propan-2-ylpentane-1,4-diamine
CID 63025005
4-N-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pentane-2,4-diamine
CID 64708051
N-tert-butyl-2-(2-propylimidazol-1-yl)pentan-1-amine
CID 83044065
3-methoxy-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]propane-1,2-diamine
CID 103226455
methyl 2-(ethylamino)-2-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pentanoate
CID 64704572

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine (CID 83054407) is 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine is CCCC(CNC(C)(C)C)N(C)Cc1nccn1C.
What is the InChIKey of 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is NEDMZTAWGCVWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4/c1-7-8-13(11-17-15(2,3)4)19(6)12-14-16-9-10-18(14)5/h9-10,13,17H,7-8,11-12H2,1-6H3.
What are the key properties of 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine?
1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 266.43 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-2-N-methyl-2-N-[(1-methylimidazol-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 83054407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).