(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine

C14H22N2 — CID 134525597

IUPAC(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
SMILES[H]/N=C/C(=C)/C(=C\C)C/C(C)=C(C)/C=C(/C)N
InChIInChI=1S/C14H22N2/c1-6-14(12(4)9-15)8-11(3)10(2)7-13(5)16/h6-7,9,15H,4,8,16H2,1-3,5H3/b11-10+,13-7-,14-6-,15-9+
InChIKeyDVCQTNRFFSEYOJ-WMMHPPCMSA-N
MW218.34 g/mol
LogP3.73
Rot. Bonds5

About (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine

(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine (PubChem CID 134525597) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine.

Molecular Properties

Compound Name(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
PubChem CID134525597
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine
SMILES[H]/N=C/C(=C)/C(=C\C)C/C(C)=C(C)/C=C(/C)N
InChIInChI=1S/C14H22N2/c1-6-14(12(4)9-15)8-11(3)10(2)7-13(5)16/h6-7,9,15H,4,8,16H2,1-3,5H3/b11-10+,13-7-,14-6-,15-9+
InChIKeyDVCQTNRFFSEYOJ-WMMHPPCMSA-N
XLogP3.73
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine with MolForge

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Related Compounds

(2Z,4E)-3,6-dimethyl-2,4-bis(prop-1-en-2-yl)hepta-2,4,6-trien-1-imine
CID 88881826
(Z)-3-methanimidoylhept-2-en-2-amine
CID 89142772
(2Z)-5-methyl-2-propylhexa-2,4-dien-1-imine
CID 89752537
(2E,4Z)-3-[(Z)-3-imino-2-methylprop-1-enyl]hepta-2,4,6-trien-2-amine
CID 117617001
(3Z,5Z,8E,10Z)-12-imino-8-methyldodeca-1,3,5,8,10-pentaen-6-amine
CID 118088323
(2Z,4Z)-2-butylhexa-2,4-dien-1-imine
CID 118974505
(2E,4Z,6E)-8-imino-4-methylocta-2,4,6-trien-2-amine
CID 126583634
(3Z,5E)-4-methanimidoylhepta-1,3,5-trien-3-amine
CID 126633066
(Z,2E)-2-ethylidene-3-[(Z)-3-imino-2-methylprop-1-enyl]pent-3-ene-1,4-diamine
CID 126687195
2-Methanimidoyl-5-prop-1-en-2-ylcyclohexa-1,5-dien-1-amine
CID 129066682
2-Methanimidoyl-5-methylcyclohexa-1,5-dien-1-amine
CID 130241556
(2Z,4Z)-1-imino-2,6-dimethylhepta-2,4,6-trien-3-amine
CID 134415586

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine?
The IUPAC name of (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine (CID 134525597) is (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine.
What is the SMILES notation for (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine?
The canonical SMILES for (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine is [H]/N=C/C(=C)/C(=C\C)C/C(C)=C(C)/C=C(/C)N.
What is the InChIKey of (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine?
The InChIKey is DVCQTNRFFSEYOJ-WMMHPPCMSA-N. The full InChI is InChI=1S/C14H22N2/c1-6-14(12(4)9-15)8-11(3)10(2)7-13(5)16/h6-7,9,15H,4,8,16H2,1-3,5H3/b11-10+,13-7-,14-6-,15-9+.
What are the key properties of (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine?
(2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine has a molecular weight of 218.34 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,7Z)-7-(3-iminoprop-1-en-2-yl)-4,5-dimethylnona-2,4,7-trien-2-amine is sourced from PubChem (CID 134525597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).