N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine

C16H31N — CID 154984612

IUPACN-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine
SMILESC=NC(C)(C)C(=C)CCCCCCC(C)CC
InChIInChI=1S/C16H31N/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)17-6/h14H,3,6-13H2,1-2,4-5H3
InChIKeyRQNLKRGSNIHOMK-UHFFFAOYSA-N
MW237.43 g/mol
LogP5.41
Rot. Bonds10

About N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine

N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine (PubChem CID 154984612) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine.

Molecular Properties

Compound NameN-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine
PubChem CID154984612
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC NameN-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine
SMILESC=NC(C)(C)C(=C)CCCCCCC(C)CC
InChIInChI=1S/C16H31N/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)17-6/h14H,3,6-13H2,1-2,4-5H3
InChIKeyRQNLKRGSNIHOMK-UHFFFAOYSA-N
XLogP5.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine?
The IUPAC name of N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine (CID 154984612) is N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine.
What is the SMILES notation for N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine?
The canonical SMILES for N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine is C=NC(C)(C)C(=C)CCCCCCC(C)CC.
What is the InChIKey of N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine?
The InChIKey is RQNLKRGSNIHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-7-14(2)12-10-8-9-11-13-15(3)16(4,5)17-6/h14H,3,6-13H2,1-2,4-5H3.
What are the key properties of N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine?
N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine has a molecular weight of 237.43 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,10-dimethyl-3-methylidenedodecan-2-yl)methanimine is sourced from PubChem (CID 154984612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).