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

C17H30N2O — CID 83061390

IUPACN-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCCCC1CCC
InChIInChI=1S/C17H30N2O/c1-3-7-16-8-5-6-11-19(16)14-15-9-12-20-17(15)13-18-10-4-2/h9,12,16,18H,3-8,10-11,13-14H2,1-2H3
InChIKeyYDKIJHQMEGYQGT-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.93
Rot. Bonds8

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

N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 83061390) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID83061390
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1occc1CN1CCCCC1CCC
InChIInChI=1S/C17H30N2O/c1-3-7-16-8-5-6-11-19(16)14-15-9-12-20-17(15)13-18-10-4-2/h9,12,16,18H,3-8,10-11,13-14H2,1-2H3
InChIKeyYDKIJHQMEGYQGT-UHFFFAOYSA-N
XLogP3.93
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.93
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

[2-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methanamine
CID 83062329
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-[(2-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 55075068
N-[[2-[(2-ethylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 62419893
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-[[6-[(2-propylpiperidin-1-yl)methyl]-3-pyridinyl]methyl]propan-1-amine
CID 83046329
N-methyl-1-[3-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62438856
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 62439899
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]furan-3-yl]-N-methylmethanamine
CID 62439336
N-[[4-[(2-ethylazepan-1-yl)methyl]-5-methylfuran-2-yl]methyl]propan-1-amine
CID 104692301
N-[[3-[(3-methylsulfonylthiomorpholin-4-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 66382066

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 83061390) is N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1occc1CN1CCCCC1CCC.
What is the InChIKey of N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is YDKIJHQMEGYQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-7-16-8-5-6-11-19(16)14-15-9-12-20-17(15)13-18-10-4-2/h9,12,16,18H,3-8,10-11,13-14H2,1-2H3.
What are the key properties of N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.93, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 83061390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).