N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine

C11H18N2 — CID 145187952

IUPACN-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine
SMILESC=NC1=C(N=C)C(C(C)C)CCC1
InChIInChI=1S/C11H18N2/c1-8(2)9-6-5-7-10(12-3)11(9)13-4/h8-9H,3-7H2,1-2H3
InChIKeyANWOFPYNVXPNRH-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.06
Rot. Bonds3

About N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine

N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine (PubChem CID 145187952) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine.

Molecular Properties

Compound NameN-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine
PubChem CID145187952
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine
SMILESC=NC1=C(N=C)C(C(C)C)CCC1
InChIInChI=1S/C11H18N2/c1-8(2)9-6-5-7-10(12-3)11(9)13-4/h8-9H,3-7H2,1-2H3
InChIKeyANWOFPYNVXPNRH-UHFFFAOYSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-methylidene-2-propan-2-ylcyclopentane
CID 142862595
(E)-N-methoxy-2-propan-2-ylcyclopentan-1-imine
CID 88593973
(1Z)-1-(2-methylpropylidene)-2-propan-2-ylcyclopentane
CID 140611088
N-(2,6-dimethylcyclohexen-1-yl)methanimine
CID 163586439
ethane;1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 144539733
N,2-di(propan-2-yl)cyclohexan-1-imine
CID 162470780
3-methoxy-7-propan-2-ylcyclohept-2-en-1-one
CID 91416101
(2Z,3Z)-1-propan-2-yl-2,3-di(propylidene)cyclohexane
CID 142042523
N-[(Z)-4-methylpent-2-en-3-yl]-2-propan-2-ylcyclopentan-1-imine
CID 175621522
6-methyl-1-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 59559014
2-methylidene-1,3-di(propan-2-yl)cyclopentane
CID 58567630
1-propan-2-yl-1,2,3,4,5,8-hexahydronaphthalene
CID 101316613

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine?
The IUPAC name of N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine (CID 145187952) is N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine.
What is the SMILES notation for N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine?
The canonical SMILES for N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine is C=NC1=C(N=C)C(C(C)C)CCC1.
What is the InChIKey of N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine?
The InChIKey is ANWOFPYNVXPNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-8(2)9-6-5-7-10(12-3)11(9)13-4/h8-9H,3-7H2,1-2H3.
What are the key properties of N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine?
N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine has a molecular weight of 178.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylideneamino)-3-propan-2-ylcyclohexen-1-yl]methanimine is sourced from PubChem (CID 145187952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).