3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine

C14H26N4 — CID 63001465

IUPAC3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1cncn1C)N1CCCC1
InChIInChI=1S/C14H26N4/c1-12(2)14(18-6-4-5-7-18)10-15-8-13-9-16-11-17(13)3/h9,11-12,14-15H,4-8,10H2,1-3H3
InChIKeyQVQYRPBUFGMIRY-UHFFFAOYSA-N
MW250.39 g/mol
LogP1.63
Rot. Bonds6

About 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine

3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine (PubChem CID 63001465) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
PubChem CID63001465
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine
SMILESCC(C)C(CNCc1cncn1C)N1CCCC1
InChIInChI=1S/C14H26N4/c1-12(2)14(18-6-4-5-7-18)10-15-8-13-9-16-11-17(13)3/h9,11-12,14-15H,4-8,10H2,1-3H3
InChIKeyQVQYRPBUFGMIRY-UHFFFAOYSA-N
XLogP1.63
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-5-aminomethylimidazole
CID 2795424
(1-methyl-1H-imidazol-4-yl)methanamine
CID 2795114
methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 7164555
N,1-Dimethyl-1H-imidazole-4-methanamine
CID 21366440
(1-ethyl-1H-imidazol-5-yl)methanamine
CID 28063992
1-(1-methyl-1H-imidazol-5-yl)ethan-1-amine
CID 54236205
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66118213
[1-(propan-2-yl)-1H-imidazol-4-yl]methanamine
CID 75355643
(1-ethyl-1H-imidazol-4-yl)methanamine
CID 82467725
N-[(1-isobutyl-1H-imidazol-5-yl)methyl]tetrahydrothiophen-3-amine
CID 50953742

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine (CID 63001465) is 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine is CC(C)C(CNCc1cncn1C)N1CCCC1.
What is the InChIKey of 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
The InChIKey is QVQYRPBUFGMIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-12(2)14(18-6-4-5-7-18)10-15-8-13-9-16-11-17(13)3/h9,11-12,14-15H,4-8,10H2,1-3H3.
What are the key properties of 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine?
3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-methylimidazol-4-yl)methyl]-2-pyrrolidin-1-ylbutan-1-amine is sourced from PubChem (CID 63001465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).