(6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine

C11H21N3 — CID 142097617

IUPAC(6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine
SMILESC=N/C=C(N)\C=C/CCCCCNC
InChIInChI=1S/C11H21N3/c1-13-9-7-5-3-4-6-8-11(12)10-14-2/h6,8,10,13H,2-5,7,9,12H2,1H3/b8-6-,11-10+
InChIKeyILIXKVRPBWOLLR-FEVLKHHISA-N
MW195.31 g/mol
LogP1.82
Rot. Bonds8

About (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine

(6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine (PubChem CID 142097617) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine.

Molecular Properties

Compound Name(6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine
PubChem CID142097617
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine
SMILESC=N/C=C(N)\C=C/CCCCCNC
InChIInChI=1S/C11H21N3/c1-13-9-7-5-3-4-6-8-11(12)10-14-2/h6,8,10,13H,2-5,7,9,12H2,1H3/b8-6-,11-10+
InChIKeyILIXKVRPBWOLLR-FEVLKHHISA-N
XLogP1.82
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine?
The IUPAC name of (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine (CID 142097617) is (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine.
What is the SMILES notation for (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine?
The canonical SMILES for (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine is C=N/C=C(N)\C=C/CCCCCNC.
What is the InChIKey of (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine?
The InChIKey is ILIXKVRPBWOLLR-FEVLKHHISA-N. The full InChI is InChI=1S/C11H21N3/c1-13-9-7-5-3-4-6-8-11(12)10-14-2/h6,8,10,13H,2-5,7,9,12H2,1H3/b8-6-,11-10+.
What are the key properties of (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine?
(6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine has a molecular weight of 195.31 g/mol, XLogP of 1.82, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8E)-1-N-methyl-9-(methylideneamino)nona-6,8-diene-1,8-diamine is sourced from PubChem (CID 142097617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).