(Z)-6,6-dimethylhept-3-en-2-amine

C9H19N — CID 163658649

IUPAC(Z)-6,6-dimethylhept-3-en-2-amine
SMILESCC(N)/C=C\CC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(10)6-5-7-9(2,3)4/h5-6,8H,7,10H2,1-4H3/b6-5-
InChIKeyISLLCWGVKCWZEG-WAYWQWQTSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds2

About (Z)-6,6-dimethylhept-3-en-2-amine

(Z)-6,6-dimethylhept-3-en-2-amine (PubChem CID 163658649) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (Z)-6,6-dimethylhept-3-en-2-amine.

Molecular Properties

Compound Name(Z)-6,6-dimethylhept-3-en-2-amine
PubChem CID163658649
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(Z)-6,6-dimethylhept-3-en-2-amine
SMILESCC(N)/C=C\CC(C)(C)C
InChIInChI=1S/C9H19N/c1-8(10)6-5-7-9(2,3)4/h5-6,8H,7,10H2,1-4H3/b6-5-
InChIKeyISLLCWGVKCWZEG-WAYWQWQTSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (Z)-6,6-dimethylhept-3-en-2-amine?
The IUPAC name of (Z)-6,6-dimethylhept-3-en-2-amine (CID 163658649) is (Z)-6,6-dimethylhept-3-en-2-amine.
What is the SMILES notation for (Z)-6,6-dimethylhept-3-en-2-amine?
The canonical SMILES for (Z)-6,6-dimethylhept-3-en-2-amine is CC(N)/C=C\CC(C)(C)C.
What is the InChIKey of (Z)-6,6-dimethylhept-3-en-2-amine?
The InChIKey is ISLLCWGVKCWZEG-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H19N/c1-8(10)6-5-7-9(2,3)4/h5-6,8H,7,10H2,1-4H3/b6-5-.
What are the key properties of (Z)-6,6-dimethylhept-3-en-2-amine?
(Z)-6,6-dimethylhept-3-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6,6-dimethylhept-3-en-2-amine is sourced from PubChem (CID 163658649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).