(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine

C16H27N — CID 138701564

IUPAC(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine
SMILESC=C1CCCCCCC1/C=C(\C=N\C)C(C)C
InChIInChI=1S/C16H27N/c1-13(2)16(12-17-4)11-15-10-8-6-5-7-9-14(15)3/h11-13,15H,3,5-10H2,1-2,4H3/b16-11+,17-12+
InChIKeyYIKZHWCHHIEKML-MAEUFBSDSA-N
MW233.40 g/mol
LogP4.80
Rot. Bonds3

About (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine

(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine (PubChem CID 138701564) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine.

Molecular Properties

Compound Name(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine
PubChem CID138701564
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine
SMILESC=C1CCCCCCC1/C=C(\C=N\C)C(C)C
InChIInChI=1S/C16H27N/c1-13(2)16(12-17-4)11-15-10-8-6-5-7-9-14(15)3/h11-13,15H,3,5-10H2,1-2,4H3/b16-11+,17-12+
InChIKeyYIKZHWCHHIEKML-MAEUFBSDSA-N
XLogP4.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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 (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine?
The IUPAC name of (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine (CID 138701564) is (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine.
What is the SMILES notation for (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine?
The canonical SMILES for (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine is C=C1CCCCCCC1/C=C(\C=N\C)C(C)C.
What is the InChIKey of (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine?
The InChIKey is YIKZHWCHHIEKML-MAEUFBSDSA-N. The full InChI is InChI=1S/C16H27N/c1-13(2)16(12-17-4)11-15-10-8-6-5-7-9-14(15)3/h11-13,15H,3,5-10H2,1-2,4H3/b16-11+,17-12+.
What are the key properties of (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine?
(2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine has a molecular weight of 233.40 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N,3-dimethyl-2-[(2-methylidenecyclooctyl)methylidene]butan-1-imine is sourced from PubChem (CID 138701564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).