N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine

C13H23N3 — CID 65172120

IUPACN-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCC(C)C
InChIInChI=1S/C13H23N3/c1-10(2)6-7-16-11(3)14-8-13(16)9-15-12-4-5-12/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeySDPKGZRSMGZQGO-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.49
Rot. Bonds6

About N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine

N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65172120) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
PubChem CID65172120
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCC(C)C
InChIInChI=1S/C13H23N3/c1-10(2)6-7-16-11(3)14-8-13(16)9-15-12-4-5-12/h8,10,12,15H,4-7,9H2,1-3H3
InChIKeySDPKGZRSMGZQGO-UHFFFAOYSA-N
XLogP2.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65171918
N-[[2-methyl-3-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 106458362
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
N-[[3-(4,4-dimethylpent-2-ynyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 114190461
N-[[2-methyl-3-(thiophen-3-ylmethyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172224
N-[[3-[(5-chlorothiophen-2-yl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171718
N-[[3-[(5-chloro-2-fluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 103050367
N-[[1-(3-methylbutyl)imidazol-2-yl]methyl]cyclopropanamine
CID 62223232

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine (CID 65172120) is N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1CCC(C)C.
What is the InChIKey of N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is SDPKGZRSMGZQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-10(2)6-7-16-11(3)14-8-13(16)9-15-12-4-5-12/h8,10,12,15H,4-7,9H2,1-3H3.
What are the key properties of N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 221.35 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65172120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).