5-methyloct-4-en-4-amine

C9H19N — CID 176900512

IUPAC5-methyloct-4-en-4-amine
SMILESCCCC(C)=C(N)CCC
InChIInChI=1S/C9H19N/c1-4-6-8(3)9(10)7-5-2/h4-7,10H2,1-3H3
InChIKeyCEAXPYGZBQHZJE-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.82
Rot. Bonds4

About 5-methyloct-4-en-4-amine

5-methyloct-4-en-4-amine (PubChem CID 176900512) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 5-methyloct-4-en-4-amine.

Molecular Properties

Compound Name5-methyloct-4-en-4-amine
PubChem CID176900512
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name5-methyloct-4-en-4-amine
SMILESCCCC(C)=C(N)CCC
InChIInChI=1S/C9H19N/c1-4-6-8(3)9(10)7-5-2/h4-7,10H2,1-3H3
InChIKeyCEAXPYGZBQHZJE-UHFFFAOYSA-N
XLogP2.82
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4,5-dimethyloct-4-ene
CID 12714364
(E)-4-methylhex-3-en-3-amine
CID 129020883
2,3-dimethylhex-2-ene;ethane
CID 144601748
ethyl 3-amino-2-methylhex-2-enoate
CID 173097015
(Z)-3,4-dimethylhept-3-ene;ethane;propane
CID 144674690
4,5-dimethyloct-4-en-2-amine
CID 123398883
(Z)-5,6-dimethylnon-5-en-4-one
CID 176967590
3-methylhept-2-en-2-amine
CID 87258436
butanamide
CID 141414886
N-[(E)-3-methylhex-2-en-2-yl]methanethioamide
CID 118534047
4-bromohept-3-en-3-amine
CID 173294864
3,4,5-trimethylocta-2,4-diene
CID 54130832

Frequently Asked Questions

What is the IUPAC name of 5-methyloct-4-en-4-amine?
The IUPAC name of 5-methyloct-4-en-4-amine (CID 176900512) is 5-methyloct-4-en-4-amine.
What is the SMILES notation for 5-methyloct-4-en-4-amine?
The canonical SMILES for 5-methyloct-4-en-4-amine is CCCC(C)=C(N)CCC.
What is the InChIKey of 5-methyloct-4-en-4-amine?
The InChIKey is CEAXPYGZBQHZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-8(3)9(10)7-5-2/h4-7,10H2,1-3H3.
What are the key properties of 5-methyloct-4-en-4-amine?
5-methyloct-4-en-4-amine has a molecular weight of 141.26 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloct-4-en-4-amine is sourced from PubChem (CID 176900512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).