N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine

C16H32N2O — CID 103274198

IUPACN-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OCC2CCCCN2C)CCC1
InChIInChI=1S/C16H32N2O/c1-3-11-17-12-10-16(8-6-9-16)19-14-15-7-4-5-13-18(15)2/h15,17H,3-14H2,1-2H3
InChIKeyMDWNTNNBCRPDTM-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.80
Rot. Bonds8

About N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine

N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine (PubChem CID 103274198) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine
PubChem CID103274198
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine
SMILESCCCNCCC1(OCC2CCCCN2C)CCC1
InChIInChI=1S/C16H32N2O/c1-3-11-17-12-10-16(8-6-9-16)19-14-15-7-4-5-13-18(15)2/h15,17H,3-14H2,1-2H3
InChIKeyMDWNTNNBCRPDTM-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.80
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine (CID 103274198) is N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine is CCCNCCC1(OCC2CCCCN2C)CCC1.
What is the InChIKey of N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine?
The InChIKey is MDWNTNNBCRPDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-11-17-12-10-16(8-6-9-16)19-14-15-7-4-5-13-18(15)2/h15,17H,3-14H2,1-2H3.
What are the key properties of N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine?
N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine has a molecular weight of 268.44 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[(1-methylpiperidin-2-yl)methoxy]cyclobutyl]ethyl]propan-1-amine is sourced from PubChem (CID 103274198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).