(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine

C9H17N — CID 142985174

IUPAC(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
SMILESC=C(/C=C(\C)N)C(C)(C)C
InChIInChI=1S/C9H17N/c1-7(6-8(2)10)9(3,4)5/h6H,1,10H2,2-5H3/b8-6+
InChIKeyXMGOFZJWFNVUEM-SOFGYWHQSA-N
MW139.24 g/mol
LogP2.45
Rot. Bonds1

About (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine

(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine (PubChem CID 142985174) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine.

Molecular Properties

Compound Name(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
PubChem CID142985174
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine
SMILESC=C(/C=C(\C)N)C(C)(C)C
InChIInChI=1S/C9H17N/c1-7(6-8(2)10)9(3,4)5/h6H,1,10H2,2-5H3/b8-6+
InChIKeyXMGOFZJWFNVUEM-SOFGYWHQSA-N
XLogP2.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3,6,6-trimethyl-5-methylidenehept-3-en-2-one
CID 123799744
(E)-2,3,6,6-tetramethyl-5-methylidenehept-3-ene
CID 144514446
(2E,5Z)-5-methyl-4-methylidenehepta-2,5-dien-2-amine
CID 169247779
3,3-dimethylbut-1-en-2-amine
CID 15393104
(Z)-5-cyclopropyl-5-methyl-4,6-dimethylidenenon-2-en-7-yn-2-amine
CID 131980537
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
prop-1-en-2-amine;yttrium
CID 158882655
(E)-4,4-dimethyl-1-(2-methylcyclopenten-1-yl)-3-methylidenepent-1-en-1-amine
CID 146618887
(2Z,4Z)-3,4,6-trimethylhepta-2,4,6-trien-2-amine
CID 126639396
(3E)-5-tert-butyl-2-methylhepta-1,3,5-trien-3-amine
CID 143941928
(Z)-4-(1-aminoethenylimino)pent-2-en-2-amine
CID 173482086
(Z)-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 142163873

Frequently Asked Questions

What is the IUPAC name of (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine?
The IUPAC name of (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine (CID 142985174) is (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine.
What is the SMILES notation for (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine?
The canonical SMILES for (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine is C=C(/C=C(\C)N)C(C)(C)C.
What is the InChIKey of (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine?
The InChIKey is XMGOFZJWFNVUEM-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17N/c1-7(6-8(2)10)9(3,4)5/h6H,1,10H2,2-5H3/b8-6+.
What are the key properties of (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine?
(E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine has a molecular weight of 139.24 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5-dimethyl-4-methylidenehex-2-en-2-amine is sourced from PubChem (CID 142985174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).