N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine

C13H26N4 — CID 106327910

IUPACN,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine
SMILESCCC(C)(CC)NCc1cnc(N(C)C)n1C
InChIInChI=1S/C13H26N4/c1-7-13(3,8-2)15-10-11-9-14-12(16(4)5)17(11)6/h9,15H,7-8,10H2,1-6H3
InChIKeyWFLDHNBWYYXIOA-UHFFFAOYSA-N
MW238.38 g/mol
LogP2.15
Rot. Bonds6

About N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine

N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine (PubChem CID 106327910) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine.

Molecular Properties

Compound NameN,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine
PubChem CID106327910
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC NameN,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine
SMILESCCC(C)(CC)NCc1cnc(N(C)C)n1C
InChIInChI=1S/C13H26N4/c1-7-13(3,8-2)15-10-11-9-14-12(16(4)5)17(11)6/h9,15H,7-8,10H2,1-6H3
InChIKeyWFLDHNBWYYXIOA-UHFFFAOYSA-N
XLogP2.15
TPSA33.09 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(methoxyamino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82706507
1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-methylpentan-2-ol
CID 114169123
N-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 107648497
N,N,1-trimethyl-5-[(2-methylprop-2-enylamino)methyl]imidazol-2-amine
CID 114615401
5-[(4-bromo-2,6-difluoroanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 65469299
5-[(2-bromo-5-methylanilino)methyl]-N,N,1-trimethylimidazol-2-amine
CID 82761508
3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]butan-1-ol
CID 83177602
4-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]-2-fluorophenol
CID 64795010
5-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]pentanamide
CID 114161729
N,N,1-trimethyl-5-[(2-thiomorpholin-4-ylethylamino)methyl]imidazol-2-amine
CID 106324569
N,N,1-trimethyl-5-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]imidazol-2-amine
CID 80682636
tert-butyl N-[3-[[2-(dimethylamino)-3-methylimidazol-4-yl]methylamino]cyclobutyl]carbamate
CID 107238844

Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine?
The IUPAC name of N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine (CID 106327910) is N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine.
What is the SMILES notation for N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine?
The canonical SMILES for N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine is CCC(C)(CC)NCc1cnc(N(C)C)n1C.
What is the InChIKey of N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine?
The InChIKey is WFLDHNBWYYXIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-7-13(3,8-2)15-10-11-9-14-12(16(4)5)17(11)6/h9,15H,7-8,10H2,1-6H3.
What are the key properties of N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine?
N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine has a molecular weight of 238.38 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-5-[(3-methylpentan-3-ylamino)methyl]imidazol-2-amine is sourced from PubChem (CID 106327910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).