4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine

C17H30N2O — CID 119111356

IUPAC4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine
SMILESCc1ccc(CNCCCCN2CC(C)CC(C)C2)o1
InChIInChI=1S/C17H30N2O/c1-14-10-15(2)13-19(12-14)9-5-4-8-18-11-17-7-6-16(3)20-17/h6-7,14-15,18H,4-5,8-13H2,1-3H3
InChIKeyOKVBIIVIYFWDCV-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.44
Rot. Bonds7

About 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine

4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine (PubChem CID 119111356) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine
PubChem CID119111356
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine
SMILESCc1ccc(CNCCCCN2CC(C)CC(C)C2)o1
InChIInChI=1S/C17H30N2O/c1-14-10-15(2)13-19(12-14)9-5-4-8-18-11-17-7-6-16(3)20-17/h6-7,14-15,18H,4-5,8-13H2,1-3H3
InChIKeyOKVBIIVIYFWDCV-UHFFFAOYSA-N
XLogP3.44
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine with MolForge

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Related Compounds

2-(3,5-dimethylpiperidin-1-yl)-N-(furan-2-ylmethyl)ethanamine
CID 60958081
N-[(5-methylfuran-2-yl)methyl]-4-(oxan-4-yl)butan-1-amine
CID 114191040
1-(2-methylcyclopropyl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 115594065
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 54899981
N-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-3-morpholin-4-ylpropan-1-amine
CID 43182304
3-(2,3-dihydroindol-1-yl)-N-[(5-methylfuran-2-yl)methyl]propan-1-amine
CID 29033925
N'-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 62523033
N-tert-butyl-5-(3,5-dimethylpiperidin-1-yl)pentan-1-amine
CID 55070235
3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
CID 17053071
N-[(5-methylfuran-2-yl)methyl]but-3-yn-1-amine
CID 63655471
N-[(4-bromophenyl)methyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]butan-1-amine
CID 94939280
3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654567

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine?
The IUPAC name of 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine (CID 119111356) is 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine.
What is the SMILES notation for 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine?
The canonical SMILES for 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine is Cc1ccc(CNCCCCN2CC(C)CC(C)C2)o1.
What is the InChIKey of 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine?
The InChIKey is OKVBIIVIYFWDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14-10-15(2)13-19(12-14)9-5-4-8-18-11-17-7-6-16(3)20-17/h6-7,14-15,18H,4-5,8-13H2,1-3H3.
What are the key properties of 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine?
4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperidin-1-yl)-N-[(5-methylfuran-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 119111356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).