(6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine

C11H22N2 — CID 134448616

IUPAC(6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine
SMILESC=C(/C=C\C(C)CCCCN)NC
InChIInChI=1S/C11H22N2/c1-10(6-4-5-9-12)7-8-11(2)13-3/h7-8,10,13H,2,4-6,9,12H2,1,3H3/b8-7-
InChIKeyHWWIEUJGWTWHIU-FPLPWBNLSA-N
MW182.31 g/mol
LogP2.04
Rot. Bonds7

About (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine

(6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine (PubChem CID 134448616) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine.

Molecular Properties

Compound Name(6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine
PubChem CID134448616
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name(6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine
SMILESC=C(/C=C\C(C)CCCCN)NC
InChIInChI=1S/C11H22N2/c1-10(6-4-5-9-12)7-8-11(2)13-3/h7-8,10,13H,2,4-6,9,12H2,1,3H3/b8-7-
InChIKeyHWWIEUJGWTWHIU-FPLPWBNLSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine?
The IUPAC name of (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine (CID 134448616) is (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine.
What is the SMILES notation for (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine?
The canonical SMILES for (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine is C=C(/C=C\C(C)CCCCN)NC.
What is the InChIKey of (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine?
The InChIKey is HWWIEUJGWTWHIU-FPLPWBNLSA-N. The full InChI is InChI=1S/C11H22N2/c1-10(6-4-5-9-12)7-8-11(2)13-3/h7-8,10,13H,2,4-6,9,12H2,1,3H3/b8-7-.
What are the key properties of (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine?
(6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine has a molecular weight of 182.31 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-8-N,5-dimethylnona-6,8-diene-1,8-diamine is sourced from PubChem (CID 134448616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).