5-methyloct-1-en-2-amine

C9H19N — CID 87112486

IUPAC5-methyloct-1-en-2-amine
SMILESC=C(N)CCC(C)CCC
InChIInChI=1S/C9H19N/c1-4-5-8(2)6-7-9(3)10/h8H,3-7,10H2,1-2H3
InChIKeyVDKYTLQAZYKDBV-UHFFFAOYSA-N
MW141.26 g/mol
LogP2.68
Rot. Bonds5

About 5-methyloct-1-en-2-amine

5-methyloct-1-en-2-amine (PubChem CID 87112486) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is 5-methyloct-1-en-2-amine.

Molecular Properties

Compound Name5-methyloct-1-en-2-amine
PubChem CID87112486
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name5-methyloct-1-en-2-amine
SMILESC=C(N)CCC(C)CCC
InChIInChI=1S/C9H19N/c1-4-5-8(2)6-7-9(3)10/h8H,3-7,10H2,1-2H3
InChIKeyVDKYTLQAZYKDBV-UHFFFAOYSA-N
XLogP2.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyloct-1-en-2-amine?
The IUPAC name of 5-methyloct-1-en-2-amine (CID 87112486) is 5-methyloct-1-en-2-amine.
What is the SMILES notation for 5-methyloct-1-en-2-amine?
The canonical SMILES for 5-methyloct-1-en-2-amine is C=C(N)CCC(C)CCC.
What is the InChIKey of 5-methyloct-1-en-2-amine?
The InChIKey is VDKYTLQAZYKDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N/c1-4-5-8(2)6-7-9(3)10/h8H,3-7,10H2,1-2H3.
What are the key properties of 5-methyloct-1-en-2-amine?
5-methyloct-1-en-2-amine has a molecular weight of 141.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyloct-1-en-2-amine is sourced from PubChem (CID 87112486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).