3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine

C13H25N3 — CID 106328036

IUPAC3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCCn1ccnc1CNC(C)(CC)CC
InChIInChI=1S/C13H25N3/c1-5-9-16-10-8-14-12(16)11-15-13(4,6-2)7-3/h8,10,15H,5-7,9,11H2,1-4H3
InChIKeyBLGXYPPUBMHSLJ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.96
Rot. Bonds7

About 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine

3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine (PubChem CID 106328036) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
PubChem CID106328036
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
SMILESCCCn1ccnc1CNC(C)(CC)CC
InChIInChI=1S/C13H25N3/c1-5-9-16-10-8-14-12(16)11-15-13(4,6-2)7-3/h8,10,15H,5-7,9,11H2,1-4H3
InChIKeyBLGXYPPUBMHSLJ-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
2,6-dibromo-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 107597049
2-methyl-2-phenyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 62956494
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
N,2,2-trimethyl-3-[(1-propylimidazol-2-yl)methylamino]propanamide
CID 114167139
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
2-methyl-2-[4-[(1-propylimidazol-2-yl)methylamino]phenyl]propanenitrile
CID 62955778
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine?
The IUPAC name of 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine (CID 106328036) is 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine is CCCn1ccnc1CNC(C)(CC)CC.
What is the InChIKey of 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine?
The InChIKey is BLGXYPPUBMHSLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-9-16-10-8-14-12(16)11-15-13(4,6-2)7-3/h8,10,15H,5-7,9,11H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine?
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 106328036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).