3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine

C16H30N4 — CID 107444106

IUPAC3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine
SMILESCCCN1CCC(n2cncc2C(CN)C(C)C)CC1
InChIInChI=1S/C16H30N4/c1-4-7-19-8-5-14(6-9-19)20-12-18-11-16(20)15(10-17)13(2)3/h11-15H,4-10,17H2,1-3H3
InChIKeyQTAHNCNUUZJFFG-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.63
Rot. Bonds6

About 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine

3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine (PubChem CID 107444106) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine
PubChem CID107444106
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine
SMILESCCCN1CCC(n2cncc2C(CN)C(C)C)CC1
InChIInChI=1S/C16H30N4/c1-4-7-19-8-5-14(6-9-19)20-12-18-11-16(20)15(10-17)13(2)3/h11-15H,4-10,17H2,1-3H3
InChIKeyQTAHNCNUUZJFFG-UHFFFAOYSA-N
XLogP2.63
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-[3-(4-methylcyclohexyl)imidazol-4-yl]butan-1-amine
CID 107444389
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
1-(3-cyclopropylimidazol-4-yl)-N,N-diethylethane-1,2-diamine
CID 66141826
1-(3-cyclopropylimidazol-4-yl)-N-propylethane-1,2-diamine
CID 66141019
1-propyl-4-(5-pyrrolidin-2-ylimidazol-1-yl)piperidine
CID 114705022
4-amino-3-(3-cyclopropylimidazol-4-yl)pentan-1-ol
CID 66140672
2-methyl-1-[3-(4-methylcyclohexyl)imidazol-4-yl]propan-1-amine
CID 102969473
4-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]pyridin-2-amine
CID 114719132
2-(3-cyclopropylimidazol-4-yl)-2-(4-propan-2-ylazepan-1-yl)ethanamine
CID 66141630
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444090
N-butyl-1-(3-cyclopropylimidazol-4-yl)-N-methylethane-1,2-diamine
CID 66140216
2-amino-1-(3-cyclobutylimidazol-4-yl)ethanol
CID 83875789

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine?
The IUPAC name of 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine (CID 107444106) is 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine?
The canonical SMILES for 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine is CCCN1CCC(n2cncc2C(CN)C(C)C)CC1.
What is the InChIKey of 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine?
The InChIKey is QTAHNCNUUZJFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-4-7-19-8-5-14(6-9-19)20-12-18-11-16(20)15(10-17)13(2)3/h11-15H,4-10,17H2,1-3H3.
What are the key properties of 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine?
3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[3-(1-propylpiperidin-4-yl)imidazol-4-yl]butan-1-amine is sourced from PubChem (CID 107444106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).