N,6-dimethylhept-5-en-2-amine;ethanol

C11H25NO — CID 118475787

IUPACN,6-dimethylhept-5-en-2-amine;ethanol
SMILESCCO.CNC(C)CCC=C(C)C
InChIInChI=1S/C9H19N.C2H6O/c1-8(2)6-5-7-9(3)10-4;1-2-3/h6,9-10H,5,7H2,1-4H3;3H,2H2,1H3
InChIKeyUYEJKUOLLDUBJY-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.34
Rot. Bonds4

About N,6-dimethylhept-5-en-2-amine;ethanol

N,6-dimethylhept-5-en-2-amine;ethanol (PubChem CID 118475787) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is N,6-dimethylhept-5-en-2-amine;ethanol.

Molecular Properties

Compound NameN,6-dimethylhept-5-en-2-amine;ethanol
PubChem CID118475787
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC NameN,6-dimethylhept-5-en-2-amine;ethanol
SMILESCCO.CNC(C)CCC=C(C)C
InChIInChI=1S/C9H19N.C2H6O/c1-8(2)6-5-7-9(3)10-4;1-2-3/h6,9-10H,5,7H2,1-4H3;3H,2H2,1H3
InChIKeyUYEJKUOLLDUBJY-UHFFFAOYSA-N
XLogP2.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.34
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 N,6-dimethylhept-5-en-2-amine;ethanol?
The IUPAC name of N,6-dimethylhept-5-en-2-amine;ethanol (CID 118475787) is N,6-dimethylhept-5-en-2-amine;ethanol.
What is the SMILES notation for N,6-dimethylhept-5-en-2-amine;ethanol?
The canonical SMILES for N,6-dimethylhept-5-en-2-amine;ethanol is CCO.CNC(C)CCC=C(C)C.
What is the InChIKey of N,6-dimethylhept-5-en-2-amine;ethanol?
The InChIKey is UYEJKUOLLDUBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.C2H6O/c1-8(2)6-5-7-9(3)10-4;1-2-3/h6,9-10H,5,7H2,1-4H3;3H,2H2,1H3.
What are the key properties of N,6-dimethylhept-5-en-2-amine;ethanol?
N,6-dimethylhept-5-en-2-amine;ethanol has a molecular weight of 187.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhept-5-en-2-amine;ethanol is sourced from PubChem (CID 118475787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).