N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

C14H24N2O — CID 55182404

IUPACN-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccoc1
InChIInChI=1S/C14H24N2O/c1-13-5-2-3-8-16(13)9-4-7-15-11-14-6-10-17-12-14/h6,10,12-13,15H,2-5,7-9,11H2,1H3
InChIKeyRQVXTQORGNUAFE-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.63
Rot. Bonds6

About N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine

N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (PubChem CID 55182404) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
PubChem CID55182404
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
SMILESCC1CCCCN1CCCNCc1ccoc1
InChIInChI=1S/C14H24N2O/c1-13-5-2-3-8-16(13)9-4-7-15-11-14-6-10-17-12-14/h6,10,12-13,15H,2-5,7-9,11H2,1H3
InChIKeyRQVXTQORGNUAFE-UHFFFAOYSA-N
XLogP2.63
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2R)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2R)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71451639
3-[(2S)-2-methylpiperidin-1-yl]-N-[[4-[[3-[(2S)-2-methylpiperidin-1-yl]propylamino]methyl]phenyl]methyl]propan-1-amine
CID 71455186
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 115523425
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309
N-[(3,4-difluorophenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43178246
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183
2-methoxy-4-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 43178235
3-[(2R)-2-methylpiperidin-1-yl]-N-[(4-phenylmethoxyphenyl)methyl]propan-1-amine
CID 7337527
N-[(3-bromo-4-methoxyphenyl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 43224374
2-(2-ethylpyrrolidin-1-yl)-N-(furan-3-ylmethyl)ethanamine
CID 62573323
3-(2-methylpiperidin-1-yl)-N-(pyrimidin-4-ylmethyl)propan-1-amine
CID 62759298
2-[5-[[3-(2-methylpiperidin-1-yl)propylamino]methyl]thiophen-2-yl]acetic acid
CID 82886267

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The IUPAC name of N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine (CID 55182404) is N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The canonical SMILES for N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is CC1CCCCN1CCCNCc1ccoc1.
What is the InChIKey of N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
The InChIKey is RQVXTQORGNUAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-13-5-2-3-8-16(13)9-4-7-15-11-14-6-10-17-12-14/h6,10,12-13,15H,2-5,7-9,11H2,1H3.
What are the key properties of N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine?
N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)-3-(2-methylpiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 55182404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).