4-methylideneoctan-1-amine

C9H19N — CID 55283989

IUPAC4-methylideneoctan-1-amine
SMILESC=C(CCCC)CCCN
InChIInChI=1S/C9H19N/c1-3-4-6-9(2)7-5-8-10/h2-8,10H2,1H3
InChIKeySMYDAKZEAVVQEN-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.47
Rot. Bonds6

About 4-methylideneoctan-1-amine

4-methylideneoctan-1-amine (PubChem CID 55283989) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 4-methylideneoctan-1-amine.

Molecular Properties

Compound Name4-methylideneoctan-1-amine
PubChem CID55283989
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name4-methylideneoctan-1-amine
SMILESC=C(CCCC)CCCN
InChIInChI=1S/C9H19N/c1-3-4-6-9(2)7-5-8-10/h2-8,10H2,1H3
InChIKeySMYDAKZEAVVQEN-UHFFFAOYSA-N
XLogP2.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.47
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

Dec-9-en-1-amine
CID 11378628
Undec-10-en-1-amine
CID 11768976
3,7-Dimethyloct-7-enylazanium
CID 72200507
3,7-Dimethyloct-7-en-1-amine
CID 53497564
2,7-Dimethyl-1,7-octadien-3-amine
CID 550746
4-Methylideneoct-7-en-1-amine
CID 10606816
2,4,5-Trihydrophenylpropylamine
CID 13247222
4-Methylpent-4-en-1-amine
CID 15256279
8-Nonen-1-amine
CID 54054691
Bis-aminopropyl propylene
CID 54562398
Monoethyl-10-undecenamine
CID 87112392
(2Z)-2-(fluoromethylidene)octan-1-amine
CID 15595226

Frequently Asked Questions

What is the IUPAC name of 4-methylideneoctan-1-amine?
The IUPAC name of 4-methylideneoctan-1-amine (CID 55283989) is 4-methylideneoctan-1-amine.
What is the SMILES notation for 4-methylideneoctan-1-amine?
The canonical SMILES for 4-methylideneoctan-1-amine is C=C(CCCC)CCCN.
What is the InChIKey of 4-methylideneoctan-1-amine?
The InChIKey is SMYDAKZEAVVQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-3-4-6-9(2)7-5-8-10/h2-8,10H2,1H3.
What are the key properties of 4-methylideneoctan-1-amine?
4-methylideneoctan-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylideneoctan-1-amine is sourced from PubChem (CID 55283989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).