(2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium

C16H30N3+ — CID 123397986

IUPAC(2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium
SMILES[H]/N=C/C(C=CCCC(C)C)=CC(CC(C)N)[N+](=C)C
InChIInChI=1S/C16H30N3/c1-13(2)8-6-7-9-15(12-17)11-16(19(4)5)10-14(3)18/h7,9,11-14,16-17H,4,6,8,10,18H2,1-3,5H3/q+1/b9-7?,15-11?,17-12+
InChIKeyWDVZBUDKHGXPQP-HVBIKSOFSA-N
MW264.44 g/mol
LogP3.00
Rot. Bonds9

About (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium

(2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium (PubChem CID 123397986) has the molecular formula C16H30N3+ and a molecular weight of 264.44 g/mol. Its IUPAC name is (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium
PubChem CID123397986
Molecular FormulaC16H30N3+
Molecular Weight264.44 g/mol
Exact Mass264.24
IUPAC Name(2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium
SMILES[H]/N=C/C(C=CCCC(C)C)=CC(CC(C)N)[N+](=C)C
InChIInChI=1S/C16H30N3/c1-13(2)8-6-7-9-15(12-17)11-16(19(4)5)10-14(3)18/h7,9,11-14,16-17H,4,6,8,10,18H2,1-3,5H3/q+1/b9-7?,15-11?,17-12+
InChIKeyWDVZBUDKHGXPQP-HVBIKSOFSA-N
XLogP3.00
TPSA52.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 53.00
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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-methyl-4-(methyliminomethyl)-N-(2-methylpent-1-en-3-yl)hex-4-en-1-amine
CID 134339579
1-[(E)-6-methyl-2-[(Z)-prop-1-enyl]hept-2-enyl]iminopropan-2-amine
CID 137535676
1-N-[[4-(butyliminomethyl)cyclohexa-2,4-dien-1-yl]methyl]-3-methylbutane-1,3-diamine
CID 145463012
(5E,7E)-8-methyl-3-methylidene-7-(methyliminomethyl)deca-5,7-dien-2-amine
CID 166778789
(6E)-2-N,4-N,3-trimethyl-5-(methyliminomethyl)nona-4,6-diene-2,4-diamine
CID 174024920
(2R,3E,5Z)-N-[(Z)-but-2-enyl]-1-imino-3-propan-2-ylhepta-3,5-dien-2-amine
CID 174366874

Frequently Asked Questions

What is the IUPAC name of (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium?
The IUPAC name of (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium (CID 123397986) is (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium.
What is the SMILES notation for (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium?
The canonical SMILES for (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium is [H]/N=C/C(C=CCCC(C)C)=CC(CC(C)N)[N+](=C)C.
What is the InChIKey of (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium?
The InChIKey is WDVZBUDKHGXPQP-HVBIKSOFSA-N. The full InChI is InChI=1S/C16H30N3/c1-13(2)8-6-7-9-15(12-17)11-16(19(4)5)10-14(3)18/h7,9,11-14,16-17H,4,6,8,10,18H2,1-3,5H3/q+1/b9-7?,15-11?,17-12+.
What are the key properties of (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium?
(2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium has a molecular weight of 264.44 g/mol, XLogP of 3.00, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6-methanimidoyl-11-methyldodeca-5,7-dien-4-yl)-methyl-methylideneazanium is sourced from PubChem (CID 123397986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).