5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol

C10H20N2O — CID 163620007

IUPAC5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol
SMILESCC1CC(O)CC=CC1(C)N(C)N
InChIInChI=1S/C10H20N2O/c1-8-7-9(13)5-4-6-10(8,2)12(3)11/h4,6,8-9,13H,5,7,11H2,1-3H3
InChIKeyHNGRSPSEYGKHHY-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.90
Rot. Bonds1

About 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol

5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol (PubChem CID 163620007) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol.

Molecular Properties

Compound Name5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol
PubChem CID163620007
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol
SMILESCC1CC(O)CC=CC1(C)N(C)N
InChIInChI=1S/C10H20N2O/c1-8-7-9(13)5-4-6-10(8,2)12(3)11/h4,6,8-9,13H,5,7,11H2,1-3H3
InChIKeyHNGRSPSEYGKHHY-UHFFFAOYSA-N
XLogP0.90
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol?
The IUPAC name of 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol (CID 163620007) is 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol.
What is the SMILES notation for 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol?
The canonical SMILES for 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol is CC1CC(O)CC=CC1(C)N(C)N.
What is the InChIKey of 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol?
The InChIKey is HNGRSPSEYGKHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8-7-9(13)5-4-6-10(8,2)12(3)11/h4,6,8-9,13H,5,7,11H2,1-3H3.
What are the key properties of 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol?
5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol has a molecular weight of 184.28 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(methyl)amino]-5,6-dimethylcyclohept-3-en-1-ol is sourced from PubChem (CID 163620007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).