6-methylideneoct-1-en-4-amine

C9H17N — CID 116660413

IUPAC6-methylideneoct-1-en-4-amine
SMILESC=CCC(N)CC(=C)CC
InChIInChI=1S/C9H17N/c1-4-6-9(10)7-8(3)5-2/h4,9H,1,3,5-7,10H2,2H3
InChIKeyVCIGNGFNTFNMNJ-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds5

About 6-methylideneoct-1-en-4-amine

6-methylideneoct-1-en-4-amine (PubChem CID 116660413) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 6-methylideneoct-1-en-4-amine.

Molecular Properties

Compound Name6-methylideneoct-1-en-4-amine
PubChem CID116660413
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name6-methylideneoct-1-en-4-amine
SMILESC=CCC(N)CC(=C)CC
InChIInChI=1S/C9H17N/c1-4-6-9(10)7-8(3)5-2/h4,9H,1,3,5-7,10H2,2H3
InChIKeyVCIGNGFNTFNMNJ-UHFFFAOYSA-N
XLogP2.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-aminohex-5-enoic acid
CID 22142027
1-cyclopentyl-4-methylidenehexan-2-amine
CID 105006054
2-methyl-5-methylideneheptan-3-amine
CID 66044107
but-1-ene;2-methylbut-1-ene
CID 90770104
(5Z)-2-methyldeca-1,5,9-triene-4,7-diamine
CID 100988531
3-methylidene-6-propylnonan-5-amine
CID 105006117
hepta-1,6-dien-4-amine;phosphoric acid
CID 87790614
(4S)-6-methylhept-1-en-4-amine
CID 55284878
4-methylidene-1-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 103215737
1-(3,5-dimethylphenyl)-4-methylidenehexan-2-amine
CID 66036849
1-(2,6-difluorophenyl)-4-methylidenehexan-2-amine
CID 105005725
2-methoxy-5-methylideneheptan-3-amine
CID 79616919

Frequently Asked Questions

What is the IUPAC name of 6-methylideneoct-1-en-4-amine?
The IUPAC name of 6-methylideneoct-1-en-4-amine (CID 116660413) is 6-methylideneoct-1-en-4-amine.
What is the SMILES notation for 6-methylideneoct-1-en-4-amine?
The canonical SMILES for 6-methylideneoct-1-en-4-amine is C=CCC(N)CC(=C)CC.
What is the InChIKey of 6-methylideneoct-1-en-4-amine?
The InChIKey is VCIGNGFNTFNMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-9(10)7-8(3)5-2/h4,9H,1,3,5-7,10H2,2H3.
What are the key properties of 6-methylideneoct-1-en-4-amine?
6-methylideneoct-1-en-4-amine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylideneoct-1-en-4-amine is sourced from PubChem (CID 116660413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).