1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol

C15H28N2O2 — CID 91478814

IUPAC1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol
SMILESCC1=CCCC(O)(CNCC2CCC(N)CO2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-3-2-7-15(18,8-6-12)11-17-9-14-5-4-13(16)10-19-14/h3,13-14,17-18H,2,4-11,16H2,1H3
InChIKeyNIMUEEMYGPVJBR-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.33
Rot. Bonds4

About 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol

1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol (PubChem CID 91478814) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol.

Molecular Properties

Compound Name1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol
PubChem CID91478814
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol
SMILESCC1=CCCC(O)(CNCC2CCC(N)CO2)CC1
InChIInChI=1S/C15H28N2O2/c1-12-3-2-7-15(18,8-6-12)11-17-9-14-5-4-13(16)10-19-14/h3,13-14,17-18H,2,4-11,16H2,1H3
InChIKeyNIMUEEMYGPVJBR-UHFFFAOYSA-N
XLogP1.33
TPSA67.51 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol?
The IUPAC name of 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol (CID 91478814) is 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol.
What is the SMILES notation for 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol?
The canonical SMILES for 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol is CC1=CCCC(O)(CNCC2CCC(N)CO2)CC1.
What is the InChIKey of 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol?
The InChIKey is NIMUEEMYGPVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12-3-2-7-15(18,8-6-12)11-17-9-14-5-4-13(16)10-19-14/h3,13-14,17-18H,2,4-11,16H2,1H3.
What are the key properties of 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol?
1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol has a molecular weight of 268.40 g/mol, XLogP of 1.33, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-aminooxan-2-yl)methylamino]methyl]-4-methylcyclohept-4-en-1-ol is sourced from PubChem (CID 91478814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).