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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Related Compounds

ethane;3-methyl-4-propylundeca-1,2-diene
CID 143173794
(2S)-2-aminohexanoic acid;dihydrochloride
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2-[(methylideneamino)methyl]hept-1-en-3-amine
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3-aminooctan-2-one;hydrochloride
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ethyl 2-aminohexanoate;hydrochloride
CID 18387178
methyl (2S)-2-aminohexanoate
CID 7018840
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
lithium 2-aminohexanoate
CID 162134290
acetamido 2-aminohexanoate
CID 91872433
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
4-amino-2-methyloctan-3-one;methanamine
CID 167521180
(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829

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).