(E)-5,5-dimethylhex-1-en-1-amine

C8H17N — CID 166660755

IUPAC(E)-5,5-dimethylhex-1-en-1-amine
SMILESCC(C)(C)CC/C=C/N
InChIInChI=1S/C8H17N/c1-8(2,3)6-4-5-7-9/h5,7H,4,6,9H2,1-3H3/b7-5+
InChIKeyLMHIJSJVWNMABU-FNORWQNLSA-N
MW127.23 g/mol
LogP2.29
Rot. Bonds2

About (E)-5,5-dimethylhex-1-en-1-amine

(E)-5,5-dimethylhex-1-en-1-amine (PubChem CID 166660755) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-5,5-dimethylhex-1-en-1-amine.

Molecular Properties

Compound Name(E)-5,5-dimethylhex-1-en-1-amine
PubChem CID166660755
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-5,5-dimethylhex-1-en-1-amine
SMILESCC(C)(C)CC/C=C/N
InChIInChI=1S/C8H17N/c1-8(2,3)6-4-5-7-9/h5,7H,4,6,9H2,1-3H3/b7-5+
InChIKeyLMHIJSJVWNMABU-FNORWQNLSA-N
XLogP2.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5-dimethylhex-1-en-1-amine?
The IUPAC name of (E)-5,5-dimethylhex-1-en-1-amine (CID 166660755) is (E)-5,5-dimethylhex-1-en-1-amine.
What is the SMILES notation for (E)-5,5-dimethylhex-1-en-1-amine?
The canonical SMILES for (E)-5,5-dimethylhex-1-en-1-amine is CC(C)(C)CC/C=C/N.
What is the InChIKey of (E)-5,5-dimethylhex-1-en-1-amine?
The InChIKey is LMHIJSJVWNMABU-FNORWQNLSA-N. The full InChI is InChI=1S/C8H17N/c1-8(2,3)6-4-5-7-9/h5,7H,4,6,9H2,1-3H3/b7-5+.
What are the key properties of (E)-5,5-dimethylhex-1-en-1-amine?
(E)-5,5-dimethylhex-1-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dimethylhex-1-en-1-amine is sourced from PubChem (CID 166660755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).