(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine

C12H22N2 — CID 129276642

IUPAC(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine
SMILESC=N/C=C\C=C/CCC(C)CCNC
InChIInChI=1S/C12H22N2/c1-12(9-11-14-3)8-6-4-5-7-10-13-2/h4-5,7,10,12,14H,2,6,8-9,11H2,1,3H3/b5-4-,10-7-
InChIKeyFTSWRXYDRMJPKK-WKBXPBOGSA-N
MW194.32 g/mol
LogP2.78
Rot. Bonds8

About (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine

(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine (PubChem CID 129276642) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine.

Molecular Properties

Compound Name(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine
PubChem CID129276642
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine
SMILESC=N/C=C\C=C/CCC(C)CCNC
InChIInChI=1S/C12H22N2/c1-12(9-11-14-3)8-6-4-5-7-10-13-2/h4-5,7,10,12,14H,2,6,8-9,11H2,1,3H3/b5-4-,10-7-
InChIKeyFTSWRXYDRMJPKK-WKBXPBOGSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine?
The IUPAC name of (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine (CID 129276642) is (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine.
What is the SMILES notation for (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine?
The canonical SMILES for (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine is C=N/C=C\C=C/CCC(C)CCNC.
What is the InChIKey of (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine?
The InChIKey is FTSWRXYDRMJPKK-WKBXPBOGSA-N. The full InChI is InChI=1S/C12H22N2/c1-12(9-11-14-3)8-6-4-5-7-10-13-2/h4-5,7,10,12,14H,2,6,8-9,11H2,1,3H3/b5-4-,10-7-.
What are the key properties of (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine?
(6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-N,3-dimethyl-9-(methylideneamino)nona-6,8-dien-1-amine is sourced from PubChem (CID 129276642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).