4-methyloct-7-ene-1,5-diamine

C9H20N2 — CID 19809792

IUPAC4-methyloct-7-ene-1,5-diamine
SMILESC=CCC(N)C(C)CCCN
InChIInChI=1S/C9H20N2/c1-3-5-9(11)8(2)6-4-7-10/h3,8-9H,1,4-7,10-11H2,2H3
InChIKeyKIEWNAJJDWRZSP-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.26
Rot. Bonds6

About 4-methyloct-7-ene-1,5-diamine

4-methyloct-7-ene-1,5-diamine (PubChem CID 19809792) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 4-methyloct-7-ene-1,5-diamine.

Molecular Properties

Compound Name4-methyloct-7-ene-1,5-diamine
PubChem CID19809792
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name4-methyloct-7-ene-1,5-diamine
SMILESC=CCC(N)C(C)CCCN
InChIInChI=1S/C9H20N2/c1-3-5-9(11)8(2)6-4-7-10/h3,8-9H,1,4-7,10-11H2,2H3
InChIKeyKIEWNAJJDWRZSP-UHFFFAOYSA-N
XLogP1.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyloct-7-ene-1,5-diamine?
The IUPAC name of 4-methyloct-7-ene-1,5-diamine (CID 19809792) is 4-methyloct-7-ene-1,5-diamine.
What is the SMILES notation for 4-methyloct-7-ene-1,5-diamine?
The canonical SMILES for 4-methyloct-7-ene-1,5-diamine is C=CCC(N)C(C)CCCN.
What is the InChIKey of 4-methyloct-7-ene-1,5-diamine?
The InChIKey is KIEWNAJJDWRZSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-3-5-9(11)8(2)6-4-7-10/h3,8-9H,1,4-7,10-11H2,2H3.
What are the key properties of 4-methyloct-7-ene-1,5-diamine?
4-methyloct-7-ene-1,5-diamine has a molecular weight of 156.27 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyloct-7-ene-1,5-diamine is sourced from PubChem (CID 19809792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).