N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine

C14H28N4 — CID 114204186

IUPACN,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
SMILESCC(C)CNCc1cn(CC(C)(C)N(C)C)cn1
InChIInChI=1S/C14H28N4/c1-12(2)7-15-8-13-9-18(11-16-13)10-14(3,4)17(5)6/h9,11-12,15H,7-8,10H2,1-6H3
InChIKeyGJVYACDLSGNHGJ-UHFFFAOYSA-N
MW252.41 g/mol
LogP1.97
Rot. Bonds7

About N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine

N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine (PubChem CID 114204186) has the molecular formula C14H28N4 and a molecular weight of 252.41 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
PubChem CID114204186
Molecular FormulaC14H28N4
Molecular Weight252.41 g/mol
Exact Mass252.23
IUPAC NameN,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
SMILESCC(C)CNCc1cn(CC(C)(C)N(C)C)cn1
InChIInChI=1S/C14H28N4/c1-12(2)7-15-8-13-9-18(11-16-13)10-14(3,4)17(5)6/h9,11-12,15H,7-8,10H2,1-6H3
InChIKeyGJVYACDLSGNHGJ-UHFFFAOYSA-N
XLogP1.97
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204100
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2,3-dimethylbutan-1-amine
CID 107501008
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 106720013
2-methyl-N-[[1-[(2-propyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720070
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-7-methyloctan-1-amine
CID 107815637
3-chloro-4-[[4-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 106720186
N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114204098
2-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720101

Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine (CID 114204186) is N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine is CC(C)CNCc1cn(CC(C)(C)N(C)C)cn1.
What is the InChIKey of N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine?
The InChIKey is GJVYACDLSGNHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4/c1-12(2)7-15-8-13-9-18(11-16-13)10-14(3,4)17(5)6/h9,11-12,15H,7-8,10H2,1-6H3.
What are the key properties of N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine?
N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine has a molecular weight of 252.41 g/mol, XLogP of 1.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine is sourced from PubChem (CID 114204186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).