N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine

C15H26N2O — CID 170867224

IUPACN,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine
SMILESCC1CCCCN1c1ccc(CCCN(C)C)o1
InChIInChI=1S/C15H26N2O/c1-13-7-4-5-12-17(13)15-10-9-14(18-15)8-6-11-16(2)3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyMRFQJZWXLWHLDE-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.15
Rot. Bonds5

About N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine

N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine (PubChem CID 170867224) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine
PubChem CID170867224
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC NameN,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine
SMILESCC1CCCCN1c1ccc(CCCN(C)C)o1
InChIInChI=1S/C15H26N2O/c1-13-7-4-5-12-17(13)15-10-9-14(18-15)8-6-11-16(2)3/h9-10,13H,4-8,11-12H2,1-3H3
InChIKeyMRFQJZWXLWHLDE-UHFFFAOYSA-N
XLogP3.15
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine (CID 170867224) is N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine is CC1CCCCN1c1ccc(CCCN(C)C)o1.
What is the InChIKey of N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine?
The InChIKey is MRFQJZWXLWHLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-13-7-4-5-12-17(13)15-10-9-14(18-15)8-6-11-16(2)3/h9-10,13H,4-8,11-12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine?
N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(2-methylpiperidin-1-yl)furan-2-yl]propan-1-amine is sourced from PubChem (CID 170867224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).