N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine

C16H24N2O — CID 81250789

IUPACN-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
SMILESc1cc(OC2CCCCCC2)c(CNC2CC2)cn1
InChIInChI=1S/C16H24N2O/c1-2-4-6-15(5-3-1)19-16-9-10-17-11-13(16)12-18-14-7-8-14/h9-11,14-15,18H,1-8,12H2
InChIKeyJYDJCVSPYGKWGG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.44
Rot. Bonds5

About N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine

N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 81250789) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
PubChem CID81250789
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
SMILESc1cc(OC2CCCCCC2)c(CNC2CC2)cn1
InChIInChI=1S/C16H24N2O/c1-2-4-6-15(5-3-1)19-16-9-10-17-11-13(16)12-18-14-7-8-14/h9-11,14-15,18H,1-8,12H2
InChIKeyJYDJCVSPYGKWGG-UHFFFAOYSA-N
XLogP3.44
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine (CID 81250789) is N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine is c1cc(OC2CCCCCC2)c(CNC2CC2)cn1.
What is the InChIKey of N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is JYDJCVSPYGKWGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-2-4-6-15(5-3-1)19-16-9-10-17-11-13(16)12-18-14-7-8-14/h9-11,14-15,18H,1-8,12H2.
What are the key properties of N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine?
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 81250789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).