N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine

C15H24N2O — CID 62292572

IUPACN-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCCCCCCOc1ncccc1CNC1CC1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-11-18-15-13(7-6-10-16-15)12-17-14-8-9-14/h6-7,10,14,17H,2-5,8-9,11-12H2,1H3
InChIKeyAKCKBMJXLKECSB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.29
Rot. Bonds9

About N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine

N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 62292572) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
PubChem CID62292572
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC NameN-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine
SMILESCCCCCCOc1ncccc1CNC1CC1
InChIInChI=1S/C15H24N2O/c1-2-3-4-5-11-18-15-13(7-6-10-16-15)12-17-14-8-9-14/h6-7,10,14,17H,2-5,8-9,11-12H2,1H3
InChIKeyAKCKBMJXLKECSB-UHFFFAOYSA-N
XLogP3.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.29
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-[2-(3-methoxypropoxy)ethoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 103180751
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-methyl-1-(2-pentoxy-3-pyridinyl)methanamine
CID 62292620
N-[(2-heptoxy-3-pyridinyl)methyl]propan-1-amine
CID 63490010
N-[(2-methoxy-3-pyridinyl)methyl]-4-methylcyclohexan-1-amine
CID 54926984
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
2-methyl-N-[(2-octoxy-3-pyridinyl)methyl]propan-1-amine
CID 63488126
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62291000
N-[(5-bromo-2-pentoxy-3-pyridinyl)methyl]cyclopropanamine
CID 55058832
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
N-[[2-(pentoxymethyl)phenyl]methyl]cyclopropanamine
CID 62450085
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410

Frequently Asked Questions

What is the IUPAC name of N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine (CID 62292572) is N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine is CCCCCCOc1ncccc1CNC1CC1.
What is the InChIKey of N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is AKCKBMJXLKECSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-2-3-4-5-11-18-15-13(7-6-10-16-15)12-17-14-8-9-14/h6-7,10,14,17H,2-5,8-9,11-12H2,1H3.
What are the key properties of N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine?
N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 248.37 g/mol, XLogP of 3.29, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hexoxy-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 62292572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).