N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

C17H30N2O — CID 62439132

IUPACN-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(CCC)CC2)o1
InChIInChI=1S/C17H30N2O/c1-3-5-15-8-11-19(12-9-15)14-17-7-6-16(20-17)13-18-10-4-2/h6-7,15,18H,3-5,8-14H2,1-2H3
InChIKeyYVIACUKENXTCSY-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.79
Rot. Bonds8

About N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine

N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (PubChem CID 62439132) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
PubChem CID62439132
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(CN2CCC(CCC)CC2)o1
InChIInChI=1S/C17H30N2O/c1-3-5-15-8-11-19(12-9-15)14-17-7-6-16(20-17)13-18-10-4-2/h6-7,15,18H,3-5,8-14H2,1-2H3
InChIKeyYVIACUKENXTCSY-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
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

N-[[5-(morpholin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62439919
[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methanamine
CID 62439493
N-[[5-[(3-methoxy-4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 102965460
N-[[5-[(4-ethylpiperidin-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62412903
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
N-[[5-[(2-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 55070016
N-[[5-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62436042
N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]ethanamine
CID 54793664
[5-[[(1-ethylpiperidin-4-yl)methylamino]methyl]furan-2-yl]methanol
CID 64592569
1-[(5-methylfuran-2-yl)methyl]-N-propylpiperidin-4-amine
CID 62524387
N-[(5-ethylfuran-2-yl)methyl]-1-(1-ethylpyrrolidin-3-yl)methanamine
CID 62346349
N-[[5-(3,4-dihydro-2H-quinolin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62425596

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine (CID 62439132) is N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is CCCNCc1ccc(CN2CCC(CCC)CC2)o1.
What is the InChIKey of N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
The InChIKey is YVIACUKENXTCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-3-5-15-8-11-19(12-9-15)14-17-7-6-16(20-17)13-18-10-4-2/h6-7,15,18H,3-5,8-14H2,1-2H3.
What are the key properties of N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine?
N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-propylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62439132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).