N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

C17H30N2O — CID 62438395

IUPACN-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCCC1CCN(Cc2occc2CNC(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-4-5-15-6-9-19(10-7-15)13-17-16(8-11-20-17)12-18-14(2)3/h8,11,14-15,18H,4-7,9-10,12-13H2,1-3H3
InChIKeyRCDFXAZYUKXQSL-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds7

About N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine

N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (PubChem CID 62438395) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
PubChem CID62438395
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
SMILESCCCC1CCN(Cc2occc2CNC(C)C)CC1
InChIInChI=1S/C17H30N2O/c1-4-5-15-6-9-19(10-7-15)13-17-16(8-11-20-17)12-18-14(2)3/h8,11,14-15,18H,4-7,9-10,12-13H2,1-3H3
InChIKeyRCDFXAZYUKXQSL-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-methylpiperazin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62439241
N-[[3-[(4-propylpiperazin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62423440
N-[[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 102968022
N-[[2-(1,3-dihydroisoindol-2-ylmethyl)furan-3-yl]methyl]propan-2-amine
CID 62439140
N-[[3-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62437907
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
1-[3-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]-N-methylmethanamine
CID 62413262
[2-[(4-ethylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 62413261
N-[[3-[(4-propan-2-ylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 103503329
3-[(4-propylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 63572820
N-[[2-[[cyclopropylmethyl(methyl)amino]methyl]furan-3-yl]methyl]propan-2-amine
CID 62426746
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine (CID 62438395) is N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is CCCC1CCN(Cc2occc2CNC(C)C)CC1.
What is the InChIKey of N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
The InChIKey is RCDFXAZYUKXQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-4-5-15-6-9-19(10-7-15)13-17-16(8-11-20-17)12-18-14(2)3/h8,11,14-15,18H,4-7,9-10,12-13H2,1-3H3.
What are the key properties of N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine?
N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62438395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).