3-methylocta-1,2-dien-4-amine

C9H17N — CID 55285036

IUPAC3-methylocta-1,2-dien-4-amine
SMILESC=C=C(C)C(N)CCCC
InChIInChI=1S/C9H17N/c1-4-6-7-9(10)8(3)5-2/h9H,2,4,6-7,10H2,1,3H3
InChIKeyZKQCCMZFJJTQNG-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.24
Rot. Bonds4

About 3-methylocta-1,2-dien-4-amine

3-methylocta-1,2-dien-4-amine (PubChem CID 55285036) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 3-methylocta-1,2-dien-4-amine.

Molecular Properties

Compound Name3-methylocta-1,2-dien-4-amine
PubChem CID55285036
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name3-methylocta-1,2-dien-4-amine
SMILESC=C=C(C)C(N)CCCC
InChIInChI=1S/C9H17N/c1-4-6-7-9(10)8(3)5-2/h9H,2,4,6-7,10H2,1,3H3
InChIKeyZKQCCMZFJJTQNG-UHFFFAOYSA-N
XLogP2.24
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylocta-1,2-dien-4-amine?
The IUPAC name of 3-methylocta-1,2-dien-4-amine (CID 55285036) is 3-methylocta-1,2-dien-4-amine.
What is the SMILES notation for 3-methylocta-1,2-dien-4-amine?
The canonical SMILES for 3-methylocta-1,2-dien-4-amine is C=C=C(C)C(N)CCCC.
What is the InChIKey of 3-methylocta-1,2-dien-4-amine?
The InChIKey is ZKQCCMZFJJTQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-4-6-7-9(10)8(3)5-2/h9H,2,4,6-7,10H2,1,3H3.
What are the key properties of 3-methylocta-1,2-dien-4-amine?
3-methylocta-1,2-dien-4-amine has a molecular weight of 139.24 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylocta-1,2-dien-4-amine is sourced from PubChem (CID 55285036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).