N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

C13H23N3O — CID 115860068

IUPACN-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCOC1C
InChIInChI=1S/C13H23N3O/c1-4-6-14-12(11-5-9-17-10(11)2)13-15-7-8-16(13)3/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyPDEKSJNLMJCOAJ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine

N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (PubChem CID 115860068) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
PubChem CID115860068
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1nccn1C)C1CCOC1C
InChIInChI=1S/C13H23N3O/c1-4-6-14-12(11-5-9-17-10(11)2)13-15-7-8-16(13)3/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyPDEKSJNLMJCOAJ-UHFFFAOYSA-N
XLogP1.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cycloheptyl-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65399979
N-[(4-ethylmorpholin-2-yl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 79668962
[(1-ethylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105308429
N-[(4-ethylcyclohexyl)-(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 65395611
N-[(2-methyloxolan-3-yl)-thiophen-2-ylmethyl]propan-1-amine
CID 79759544
N-[(2-methyloxolan-3-yl)-pyridin-3-ylmethyl]propan-1-amine
CID 115799745
N-[(5-fluoro-3-pyridinyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115805290
1-(1-methylimidazol-2-yl)-3-(oxan-2-yl)-N-propylpropan-1-amine
CID 115860071
N-[(1-methylimidazol-2-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methyl]propan-1-amine
CID 63974331
N-[(2,3-dichlorophenyl)-(2-methyloxolan-3-yl)methyl]propan-1-amine
CID 115851413
N-[(2-methyloxolan-3-yl)-[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 79755119
N-[oxan-2-yl-(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 115859031

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine (CID 115860068) is N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is CCCNC(c1nccn1C)C1CCOC1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
The InChIKey is PDEKSJNLMJCOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-6-14-12(11-5-9-17-10(11)2)13-15-7-8-16(13)3/h7-8,10-12,14H,4-6,9H2,1-3H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine?
N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine has a molecular weight of 237.35 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-(2-methyloxolan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 115860068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).