1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

C14H27N5 — CID 107501221

IUPAC1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cn(CCN)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N5/c1-17(2)14(5-4-6-14)11-18(3)9-13-10-19(8-7-15)12-16-13/h10,12H,4-9,11,15H2,1-3H3
InChIKeyHALCCITXJWUVCD-UHFFFAOYSA-N
MW265.40 g/mol
LogP0.76
Rot. Bonds7

About 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine

1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (PubChem CID 107501221) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
PubChem CID107501221
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
SMILESCN(Cc1cn(CCN)cn1)CC1(N(C)C)CCC1
InChIInChI=1S/C14H27N5/c1-17(2)14(5-4-6-14)11-18(3)9-13-10-19(8-7-15)12-16-13/h10,12H,4-9,11,15H2,1-3H3
InChIKeyHALCCITXJWUVCD-UHFFFAOYSA-N
XLogP0.76
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylpentan-3-amine
CID 107500690
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-1-ethylcyclobutan-1-amine
CID 107501173
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-propylpropan-1-amine
CID 107500626
1-[[(5-chloropyrazin-2-yl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 103054422
2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500889
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-2-methyl-N-propan-2-ylpropan-1-amine
CID 107500807
1-[[(5-bromo-2-pyridinyl)methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105416318
1-[[[3-(aminomethyl)-2-fluorophenyl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine
CID 107113662
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107500820
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-(2-methylpropyl)cyclopropanamine
CID 107500803

Frequently Asked Questions

What is the IUPAC name of 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The IUPAC name of 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine (CID 107501221) is 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine.
What is the SMILES notation for 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The canonical SMILES for 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is CN(Cc1cn(CCN)cn1)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
The InChIKey is HALCCITXJWUVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-17(2)14(5-4-6-14)11-18(3)9-13-10-19(8-7-15)12-16-13/h10,12H,4-9,11,15H2,1-3H3.
What are the key properties of 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine?
1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[1-(2-aminoethyl)imidazol-4-yl]methyl-methylamino]methyl]-N,N-dimethylcyclobutan-1-amine is sourced from PubChem (CID 107501221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).