2-amino-4,7,7-trimethylcyclohept-3-en-1-ol

C10H19NO — CID 57139192

IUPAC2-amino-4,7,7-trimethylcyclohept-3-en-1-ol
SMILESCC1=CC(N)C(O)C(C)(C)CC1
InChIInChI=1S/C10H19NO/c1-7-4-5-10(2,3)9(12)8(11)6-7/h6,8-9,12H,4-5,11H2,1-3H3
InChIKeyZIGDNXIPSDIMSO-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.44
Rot. Bonds

About 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol

2-amino-4,7,7-trimethylcyclohept-3-en-1-ol (PubChem CID 57139192) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol.

Molecular Properties

Compound Name2-amino-4,7,7-trimethylcyclohept-3-en-1-ol
PubChem CID57139192
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-amino-4,7,7-trimethylcyclohept-3-en-1-ol
SMILESCC1=CC(N)C(O)C(C)(C)CC1
InChIInChI=1S/C10H19NO/c1-7-4-5-10(2,3)9(12)8(11)6-7/h6,8-9,12H,4-5,11H2,1-3H3
InChIKeyZIGDNXIPSDIMSO-UHFFFAOYSA-N
XLogP1.44
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol?
The IUPAC name of 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol (CID 57139192) is 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol.
What is the SMILES notation for 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol?
The canonical SMILES for 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol is CC1=CC(N)C(O)C(C)(C)CC1.
What is the InChIKey of 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol?
The InChIKey is ZIGDNXIPSDIMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7-4-5-10(2,3)9(12)8(11)6-7/h6,8-9,12H,4-5,11H2,1-3H3.
What are the key properties of 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol?
2-amino-4,7,7-trimethylcyclohept-3-en-1-ol has a molecular weight of 169.27 g/mol, XLogP of 1.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,7,7-trimethylcyclohept-3-en-1-ol is sourced from PubChem (CID 57139192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).