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

C15H25N3O — CID 65172275

IUPACN-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCCC1CCCO1
InChIInChI=1S/C15H25N3O/c1-12-16-10-14(11-17-13-6-7-13)18(12)8-2-4-15-5-3-9-19-15/h10,13,15,17H,2-9,11H2,1H3
InChIKeyOENXSKDULKCMGW-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.40
Rot. Bonds7

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

N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine (PubChem CID 65172275) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
PubChem CID65172275
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
SMILESCc1ncc(CNC2CC2)n1CCCC1CCCO1
InChIInChI=1S/C15H25N3O/c1-12-16-10-14(11-17-13-6-7-13)18(12)8-2-4-15-5-3-9-19-15/h10,13,15,17H,2-9,11H2,1H3
InChIKeyOENXSKDULKCMGW-UHFFFAOYSA-N
XLogP2.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]propan-2-amine
CID 65172378
N-[[3-(3-methoxypropyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172064
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 65173175
N-[[3-(3,3-dimethylbutyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65171713
N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]cyclopropanamine
CID 65172120
N-[[3-(2-methoxyethyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 65172121
N-[[1-[3-(oxolan-2-yl)propyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162326
2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172329
N-[[1-[3-(oxolan-2-yl)propyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65165245
N-[[1-[2-(oxolan-2-yl)ethyl]imidazol-2-yl]methyl]cyclopropanamine
CID 65162327
N-[[2-methyl-3-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65171918
N-[[3-(4,4-dimethylpent-2-ynyl)-2-methylimidazol-4-yl]methyl]cyclopropanamine
CID 114190461

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine (CID 65172275) is N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine is Cc1ncc(CNC2CC2)n1CCCC1CCCO1.
What is the InChIKey of N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine?
The InChIKey is OENXSKDULKCMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-16-10-14(11-17-13-6-7-13)18(12)8-2-4-15-5-3-9-19-15/h10,13,15,17H,2-9,11H2,1H3.
What are the key properties of N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine?
N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine has a molecular weight of 263.38 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 65172275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).