5-ethyl-2-methylidenedodecan-1-imine

C15H29N — CID 146359684

IUPAC5-ethyl-2-methylidenedodecan-1-imine
SMILES[H]/N=C/C(=C)CCC(CC)CCCCCCC
InChIInChI=1S/C15H29N/c1-4-6-7-8-9-10-15(5-2)12-11-14(3)13-16/h13,15-16H,3-12H2,1-2H3/b16-13+
InChIKeyVPZPGHIMWYXUAZ-DTQAZKPQSA-N
MW223.40 g/mol
LogP5.36
Rot. Bonds11

About 5-ethyl-2-methylidenedodecan-1-imine

5-ethyl-2-methylidenedodecan-1-imine (PubChem CID 146359684) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 5-ethyl-2-methylidenedodecan-1-imine.

Molecular Properties

Compound Name5-ethyl-2-methylidenedodecan-1-imine
PubChem CID146359684
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name5-ethyl-2-methylidenedodecan-1-imine
SMILES[H]/N=C/C(=C)CCC(CC)CCCCCCC
InChIInChI=1S/C15H29N/c1-4-6-7-8-9-10-15(5-2)12-11-14(3)13-16/h13,15-16H,3-12H2,1-2H3/b16-13+
InChIKeyVPZPGHIMWYXUAZ-DTQAZKPQSA-N
XLogP5.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500223.40
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,4-dimethyl-3-methylideneheptan-1-imine
CID 89244769
5,6-Dimethylhept-6-en-1-imine
CID 91525775
(E)-3,11-dimethyltetradec-2-en-1-imine
CID 118358413
4-Ethyl-7-methyloct-7-en-1-imine
CID 123335226
3,5-Dimethyl-2-methylidenehexan-1-imine
CID 123392141
3-Butyl-4-methylhepta-2,6-dien-1-imine
CID 123647408
4-(1-Ethyl-3-prop-1-en-2-ylcyclobutyl)butan-1-imine
CID 123797988
(Z)-3-imino-2-(4-pentylcyclohexyl)prop-1-en-1-amine
CID 124095030
(3R,5S)-4-ethyl-3,5-dimethyl-2-methylidenenonan-1-imine
CID 126592729
(5S)-5-methyl-6-methylideneoctan-1-imine
CID 126592938
(5S)-5,6-dimethyl-2-methylidenehept-6-en-1-imine
CID 126592941
4-Methyl-3-methylidenehexan-1-imine
CID 134484933

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-methylidenedodecan-1-imine?
The IUPAC name of 5-ethyl-2-methylidenedodecan-1-imine (CID 146359684) is 5-ethyl-2-methylidenedodecan-1-imine.
What is the SMILES notation for 5-ethyl-2-methylidenedodecan-1-imine?
The canonical SMILES for 5-ethyl-2-methylidenedodecan-1-imine is [H]/N=C/C(=C)CCC(CC)CCCCCCC.
What is the InChIKey of 5-ethyl-2-methylidenedodecan-1-imine?
The InChIKey is VPZPGHIMWYXUAZ-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H29N/c1-4-6-7-8-9-10-15(5-2)12-11-14(3)13-16/h13,15-16H,3-12H2,1-2H3/b16-13+.
What are the key properties of 5-ethyl-2-methylidenedodecan-1-imine?
5-ethyl-2-methylidenedodecan-1-imine has a molecular weight of 223.40 g/mol, XLogP of 5.36, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-methylidenedodecan-1-imine is sourced from PubChem (CID 146359684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).