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

C15H26N2O — CID 62439899

IUPACN-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN1CCC(C)CC1
InChIInChI=1S/C15H26N2O/c1-3-7-16-11-14-6-10-18-15(14)12-17-8-4-13(2)5-9-17/h6,10,13,16H,3-5,7-9,11-12H2,1-2H3
InChIKeyGESANJAIFUYKLA-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.01
Rot. Bonds6

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

N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (PubChem CID 62439899) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
PubChem CID62439899
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccoc1CN1CCC(C)CC1
InChIInChI=1S/C15H26N2O/c1-3-7-16-11-14-6-10-18-15(14)12-17-8-4-13(2)5-9-17/h6,10,13,16H,3-5,7-9,11-12H2,1-2H3
InChIKeyGESANJAIFUYKLA-UHFFFAOYSA-N
XLogP3.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.01
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-[[2-(morpholin-4-ylmethyl)furan-3-yl]methyl]propan-1-amine
CID 62439019
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62440081
N-[[3-(piperidin-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62424704
N-[[3-[[4-(methoxymethyl)piperidin-1-yl]methyl]furan-2-yl]methyl]propan-1-amine
CID 63978913
N-[[2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 102745997
N-[[2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 107456153
N-[[2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine
CID 114460894
1-ethyl-N-methyl-N-[[2-(propylaminomethyl)furan-3-yl]methyl]piperidin-4-amine
CID 62436022
N-[[3-[(4-methylazepan-1-yl)methyl]furan-2-yl]methyl]cyclopropanamine
CID 63626130
N-propyl-N-[[3-(propylaminomethyl)furan-2-yl]methyl]cyclopropanamine
CID 55211059
N-[[2-[(4-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62438395
N-[[2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]furan-3-yl]methyl]ethanamine
CID 64582188

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine (CID 62439899) is N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is CCCNCc1ccoc1CN1CCC(C)CC1.
What is the InChIKey of N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
The InChIKey is GESANJAIFUYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-7-16-11-14-6-10-18-15(14)12-17-8-4-13(2)5-9-17/h6,10,13,16H,3-5,7-9,11-12H2,1-2H3.
What are the key properties of N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine?
N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62439899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).