(E)-2,2-dimethylhept-5-en-1-amine

C9H19N — CID 55289620

IUPAC(E)-2,2-dimethylhept-5-en-1-amine
SMILESC/C=C/CCC(C)(C)CN
InChIInChI=1S/C9H19N/c1-4-5-6-7-9(2,3)8-10/h4-5H,6-8,10H2,1-3H3/b5-4+
InChIKeyIXYRVQJTEARAEH-SNAWJCMRSA-N
MW141.26 g/mol
LogP2.33
Rot. Bonds4

About (E)-2,2-dimethylhept-5-en-1-amine

(E)-2,2-dimethylhept-5-en-1-amine (PubChem CID 55289620) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-2,2-dimethylhept-5-en-1-amine.

Molecular Properties

Compound Name(E)-2,2-dimethylhept-5-en-1-amine
PubChem CID55289620
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-2,2-dimethylhept-5-en-1-amine
SMILESC/C=C/CCC(C)(C)CN
InChIInChI=1S/C9H19N/c1-4-5-6-7-9(2,3)8-10/h4-5H,6-8,10H2,1-3H3/b5-4+
InChIKeyIXYRVQJTEARAEH-SNAWJCMRSA-N
XLogP2.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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 (E)-2,2-dimethylhept-5-en-1-amine?
The IUPAC name of (E)-2,2-dimethylhept-5-en-1-amine (CID 55289620) is (E)-2,2-dimethylhept-5-en-1-amine.
What is the SMILES notation for (E)-2,2-dimethylhept-5-en-1-amine?
The canonical SMILES for (E)-2,2-dimethylhept-5-en-1-amine is C/C=C/CCC(C)(C)CN.
What is the InChIKey of (E)-2,2-dimethylhept-5-en-1-amine?
The InChIKey is IXYRVQJTEARAEH-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-6-7-9(2,3)8-10/h4-5H,6-8,10H2,1-3H3/b5-4+.
What are the key properties of (E)-2,2-dimethylhept-5-en-1-amine?
(E)-2,2-dimethylhept-5-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-dimethylhept-5-en-1-amine is sourced from PubChem (CID 55289620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).