(E)-3-methyl-4-methylidenehex-2-en-2-amine

C8H15N — CID 177319888

IUPAC(E)-3-methyl-4-methylidenehex-2-en-2-amine
SMILESC=C(CC)/C(C)=C(\C)N
InChIInChI=1S/C8H15N/c1-5-6(2)7(3)8(4)9/h2,5,9H2,1,3-4H3/b8-7+
InChIKeySEOMDWOGOSVXSA-BQYQJAHWSA-N
MW125.21 g/mol
LogP2.21
Rot. Bonds2

About (E)-3-methyl-4-methylidenehex-2-en-2-amine

(E)-3-methyl-4-methylidenehex-2-en-2-amine (PubChem CID 177319888) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is (E)-3-methyl-4-methylidenehex-2-en-2-amine.

Molecular Properties

Compound Name(E)-3-methyl-4-methylidenehex-2-en-2-amine
PubChem CID177319888
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name(E)-3-methyl-4-methylidenehex-2-en-2-amine
SMILESC=C(CC)/C(C)=C(\C)N
InChIInChI=1S/C8H15N/c1-5-6(2)7(3)8(4)9/h2,5,9H2,1,3-4H3/b8-7+
InChIKeySEOMDWOGOSVXSA-BQYQJAHWSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.21
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

(3Z)-2,4-dimethylhexa-1,3-dien-3-amine
CID 167041122
2-methylidenebutanoic acid;2-methylprop-2-enamide
CID 88685460
N,N-dimethylmethanamine;2-methylidenebutanamide
CID 87072562
(Z)-5-methylidenehept-3-en-4-amine
CID 162685549
2-methyl-4-methylidenehex-2-en-3-ol
CID 177162520
2-methylidenebutanamide;trimethylazanium;bromide
CID 87506814
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
acetylene;ethane;methane;(Z)-3-methylpent-2-en-2-amine
CID 169178718
methane;bis(2-methylbut-1-ene)
CID 160529780
2-aminopent-2-en-3-ol
CID 151656039
(E)-4-methylhex-3-en-3-amine
CID 129020883
(3E)-4-methoxy-3-methylhexa-1,3-dien-2-amine
CID 137484755

Frequently Asked Questions

What is the IUPAC name of (E)-3-methyl-4-methylidenehex-2-en-2-amine?
The IUPAC name of (E)-3-methyl-4-methylidenehex-2-en-2-amine (CID 177319888) is (E)-3-methyl-4-methylidenehex-2-en-2-amine.
What is the SMILES notation for (E)-3-methyl-4-methylidenehex-2-en-2-amine?
The canonical SMILES for (E)-3-methyl-4-methylidenehex-2-en-2-amine is C=C(CC)/C(C)=C(\C)N.
What is the InChIKey of (E)-3-methyl-4-methylidenehex-2-en-2-amine?
The InChIKey is SEOMDWOGOSVXSA-BQYQJAHWSA-N. The full InChI is InChI=1S/C8H15N/c1-5-6(2)7(3)8(4)9/h2,5,9H2,1,3-4H3/b8-7+.
What are the key properties of (E)-3-methyl-4-methylidenehex-2-en-2-amine?
(E)-3-methyl-4-methylidenehex-2-en-2-amine has a molecular weight of 125.21 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methyl-4-methylidenehex-2-en-2-amine is sourced from PubChem (CID 177319888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).