N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine

C13H23N3O — CID 95215771

IUPACN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCc1[nH]cnc1CN(C)CCC[C@H]1CCCO1
InChIInChI=1S/C13H23N3O/c1-11-13(15-10-14-11)9-16(2)7-3-5-12-6-4-8-17-12/h10,12H,3-9H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyCPUHTSBEVRAYHC-LBPRGKRZSA-N
MW237.35 g/mol
LogP2.11
Rot. Bonds6

About N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine

N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine (PubChem CID 95215771) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
PubChem CID95215771
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCc1[nH]cnc1CN(C)CCC[C@H]1CCCO1
InChIInChI=1S/C13H23N3O/c1-11-13(15-10-14-11)9-16(2)7-3-5-12-6-4-8-17-12/h10,12H,3-9H2,1-2H3,(H,14,15)/t12-/m0/s1
InChIKeyCPUHTSBEVRAYHC-LBPRGKRZSA-N
XLogP2.11
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine (CID 95215771) is N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine is Cc1[nH]cnc1CN(C)CCC[C@H]1CCCO1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The InChIKey is CPUHTSBEVRAYHC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-13(15-10-14-11)9-16(2)7-3-5-12-6-4-8-17-12/h10,12H,3-9H2,1-2H3,(H,14,15)/t12-/m0/s1.
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 95215771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).