(4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium

C20H40N+ — CID 123634732

IUPAC(4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium
SMILESC=[N+](C)C=C(C)CC(CC)CCCC(CC)CCC(C)C
InChIInChI=1S/C20H40N/c1-8-19(14-13-17(3)4)11-10-12-20(9-2)15-18(5)16-21(6)7/h16-17,19-20H,6,8-15H2,1-5,7H3/q+1
InChIKeyZWOJRQLFUYSKBN-UHFFFAOYSA-N
MW294.55 g/mol
LogP6.28
Rot. Bonds12

About (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium

(4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium (PubChem CID 123634732) has the molecular formula C20H40N+ and a molecular weight of 294.55 g/mol. Its IUPAC name is (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium.

Molecular Properties

Compound Name(4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium
PubChem CID123634732
Molecular FormulaC20H40N+
Molecular Weight294.55 g/mol
Exact Mass294.32
IUPAC Name(4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium
SMILESC=[N+](C)C=C(C)CC(CC)CCCC(CC)CCC(C)C
InChIInChI=1S/C20H40N/c1-8-19(14-13-17(3)4)11-10-12-20(9-2)15-18(5)16-21(6)7/h16-17,19-20H,6,8-15H2,1-5,7H3/q+1
InChIKeyZWOJRQLFUYSKBN-UHFFFAOYSA-N
XLogP6.28
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.55
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N,3,7,11,15-hexamethylhexadec-1-en-1-amine
CID 57171092
N-(3-butyl-2-methyloct-1-enyl)methanimine
CID 123742477
4-ethyl-N,N-dimethyl-2-pentylnona-1,8-dien-1-amine
CID 123786169
(Z)-4-butyl-N,N-diethyl-2,3,3,5-tetramethyloct-1-en-1-amine
CID 129168503
N-[(E)-2,4-dimethyl-3-methylideneoct-1-enyl]methanimine
CID 131971023
N-[(Z)-7-methyl-2-(6-methylheptan-3-yl)oct-1-enyl]methanimine
CID 134313970
N-[(E)-3-(2,2-dimethylpropyl)-2-methylhept-1-enyl]methanimine
CID 139319938
ethane;N-[(Z)-2,3,7-trimethyloct-1-enyl]ethanimine
CID 144380715
N-[(E)-2,9-dimethyldec-1-enyl]methanimine;ethane;pentane
CID 144712463
(Z)-2-butan-2-yl-N-(methylideneamino)-N-propylhex-1-en-1-amine;ethane;propane
CID 153623007
(E)-N-ethyl-N,4-dimethyl-2-propan-2-ylhex-1-en-1-amine
CID 154980238
ethene;(Z)-N-ethyl-N-methylprop-1-en-1-amine;5-ethylpentadec-1-ene;propa-1,2-diene
CID 156751271

Frequently Asked Questions

What is the IUPAC name of (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium?
The IUPAC name of (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium (CID 123634732) is (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium.
What is the SMILES notation for (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium?
The canonical SMILES for (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium is C=[N+](C)C=C(C)CC(CC)CCCC(CC)CCC(C)C.
What is the InChIKey of (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium?
The InChIKey is ZWOJRQLFUYSKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N/c1-8-19(14-13-17(3)4)11-10-12-20(9-2)15-18(5)16-21(6)7/h16-17,19-20H,6,8-15H2,1-5,7H3/q+1.
What are the key properties of (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium?
(4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium has a molecular weight of 294.55 g/mol, XLogP of 6.28, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4,8-diethyl-2,11-dimethyldodec-1-enyl)-methyl-methylideneazanium is sourced from PubChem (CID 123634732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).