2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

C14H25N3O — CID 65172329

IUPAC2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1CC1CCCO1
InChIInChI=1S/C14H25N3O/c1-11-15-8-12(9-16-14(2,3)4)17(11)10-13-6-5-7-18-13/h8,13,16H,5-7,9-10H2,1-4H3
InChIKeyBLTKPEJIGWQKAQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.26
Rot. Bonds4

About 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 65172329) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID65172329
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)C)n1CC1CCCO1
InChIInChI=1S/C14H25N3O/c1-11-15-8-12(9-16-14(2,3)4)17(11)10-13-6-5-7-18-13/h8,13,16H,5-7,9-10H2,1-4H3
InChIKeyBLTKPEJIGWQKAQ-UHFFFAOYSA-N
XLogP2.26
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.26
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-[[2-methyl-3-[3-(oxolan-2-yl)propyl]imidazol-4-yl]methyl]cyclopropanamine
CID 65172275
[2-methyl-3-[2-(oxolan-2-yl)ethyl]imidazol-4-yl]methanamine
CID 65173175
2-methyl-N-[[2-(oxolan-2-ylmethylsulfanyl)pyrimidin-5-yl]methyl]propan-2-amine
CID 106496585
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 80631769
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
5-(chloromethyl)-2-methylsulfonyl-1-[[(2S)-oxolan-2-yl]methyl]imidazole
CID 94133723
2-methyl-N-[[6-methyl-4-(oxan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81255068
N-[[3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 65165270
N-[[3-[3-(2-methoxyethoxy)propyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 103413583
N-[[3-[(3,5-difluorophenyl)methyl]-2-methylimidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 105409596
2-methyl-N-[[2-methyl-4-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 106496534

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine (CID 65172329) is 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is Cc1ncc(CNC(C)(C)C)n1CC1CCCO1.
What is the InChIKey of 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is BLTKPEJIGWQKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-15-8-12(9-16-14(2,3)4)17(11)10-13-6-5-7-18-13/h8,13,16H,5-7,9-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 251.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-methyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 65172329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).