(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine

C13H21N — CID 88874929

IUPAC(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
SMILESC=C/C=C1/CCCC(C(C)C)/C1=N\C
InChIInChI=1S/C13H21N/c1-5-7-11-8-6-9-12(10(2)3)13(11)14-4/h5,7,10,12H,1,6,8-9H2,2-4H3/b11-7-,14-13-
InChIKeyGDNPRQRCYSTFOU-ZDVOXNMWSA-N
MW191.32 g/mol
LogP3.63
Rot. Bonds2

About (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine

(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine (PubChem CID 88874929) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine.

Molecular Properties

Compound Name(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
PubChem CID88874929
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
SMILESC=C/C=C1/CCCC(C(C)C)/C1=N\C
InChIInChI=1S/C13H21N/c1-5-7-11-8-6-9-12(10(2)3)13(11)14-4/h5,7,10,12H,1,6,8-9H2,2-4H3/b11-7-,14-13-
InChIKeyGDNPRQRCYSTFOU-ZDVOXNMWSA-N
XLogP3.63
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine?
The IUPAC name of (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine (CID 88874929) is (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine.
What is the SMILES notation for (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine?
The canonical SMILES for (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine is C=C/C=C1/CCCC(C(C)C)/C1=N\C.
What is the InChIKey of (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine?
The InChIKey is GDNPRQRCYSTFOU-ZDVOXNMWSA-N. The full InChI is InChI=1S/C13H21N/c1-5-7-11-8-6-9-12(10(2)3)13(11)14-4/h5,7,10,12H,1,6,8-9H2,2-4H3/b11-7-,14-13-.
What are the key properties of (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine?
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine has a molecular weight of 191.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine is sourced from PubChem (CID 88874929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).