N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine

C14H26N2O2 — CID 23024562

IUPACN-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine
SMILESC1CC(CNCC2CO2)CC(CNCC2CO2)C1
InChIInChI=1S/C14H26N2O2/c1-2-11(5-15-7-13-9-17-13)4-12(3-1)6-16-8-14-10-18-14/h11-16H,1-10H2
InChIKeyCPHATONJQNHTJV-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.77
Rot. Bonds8

About N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine

N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine (PubChem CID 23024562) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine.

Molecular Properties

Compound NameN-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine
PubChem CID23024562
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine
SMILESC1CC(CNCC2CO2)CC(CNCC2CO2)C1
InChIInChI=1S/C14H26N2O2/c1-2-11(5-15-7-13-9-17-13)4-12(3-1)6-16-8-14-10-18-14/h11-16H,1-10H2
InChIKeyCPHATONJQNHTJV-UHFFFAOYSA-N
XLogP0.77
TPSA49.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine?
The IUPAC name of N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine (CID 23024562) is N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine.
What is the SMILES notation for N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine?
The canonical SMILES for N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine is C1CC(CNCC2CO2)CC(CNCC2CO2)C1.
What is the InChIKey of N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine?
The InChIKey is CPHATONJQNHTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-11(5-15-7-13-9-17-13)4-12(3-1)6-16-8-14-10-18-14/h11-16H,1-10H2.
What are the key properties of N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine?
N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine has a molecular weight of 254.37 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxiran-2-ylmethyl)-1-[3-[(oxiran-2-ylmethylamino)methyl]cyclohexyl]methanamine is sourced from PubChem (CID 23024562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).