N-methyl-4-propylcyclooct-2-en-1-imine

C12H21N — CID 91309615

IUPACN-methyl-4-propylcyclooct-2-en-1-imine
SMILESCCCC1C=C/C(=N/C)CCCC1
InChIInChI=1S/C12H21N/c1-3-6-11-7-4-5-8-12(13-2)10-9-11/h9-11H,3-8H2,1-2H3/b10-9?,13-12+
InChIKeyAAPBLQOABACSAP-BMSCJNEBSA-N
MW179.31 g/mol
LogP3.60
Rot. Bonds2

About N-methyl-4-propylcyclooct-2-en-1-imine

N-methyl-4-propylcyclooct-2-en-1-imine (PubChem CID 91309615) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-methyl-4-propylcyclooct-2-en-1-imine.

Molecular Properties

Compound NameN-methyl-4-propylcyclooct-2-en-1-imine
PubChem CID91309615
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-methyl-4-propylcyclooct-2-en-1-imine
SMILESCCCC1C=C/C(=N/C)CCCC1
InChIInChI=1S/C12H21N/c1-3-6-11-7-4-5-8-12(13-2)10-9-11/h9-11H,3-8H2,1-2H3/b10-9?,13-12+
InChIKeyAAPBLQOABACSAP-BMSCJNEBSA-N
XLogP3.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6Z)-6-ethylidene-4-fluoro-5-heptan-3-yl-N-methylcyclohex-2-en-1-imine
CID 123416100
1-[(5S)-4-ethyl-5-fluorocyclohex-3-en-1-yl]-N-methylethanimine
CID 126545859
(Z)-6-ethyl-7-(fluoromethyl)-N-methylundec-8-en-5-imine
CID 143491208
N-methyl-3,4-di(propan-2-yl)cyclohex-2-en-1-imine
CID 20631046
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118
(6Z)-N-methyl-2-propan-2-yl-6-prop-2-enylidenecyclohexan-1-imine
CID 88874929
(1Z)-7-methyl-9-azabicyclo[6.5.0]trideca-1,3,8-triene
CID 90700421
(5Z)-10-methyl-2,3,7,8,9,10-hexahydrocycloocta[b]pyrazine
CID 90785170
N,3,4-trimethylcyclohex-2-en-1-imine
CID 90861631
1-Methyl-10-(3-methylpentyl)-3,4,8,9-tetrahydrocycloocta[c]pyridine
CID 91269631
4-butyl-N-methylcyclohex-2-en-1-imine
CID 91428157

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-propylcyclooct-2-en-1-imine?
The IUPAC name of N-methyl-4-propylcyclooct-2-en-1-imine (CID 91309615) is N-methyl-4-propylcyclooct-2-en-1-imine.
What is the SMILES notation for N-methyl-4-propylcyclooct-2-en-1-imine?
The canonical SMILES for N-methyl-4-propylcyclooct-2-en-1-imine is CCCC1C=C/C(=N/C)CCCC1.
What is the InChIKey of N-methyl-4-propylcyclooct-2-en-1-imine?
The InChIKey is AAPBLQOABACSAP-BMSCJNEBSA-N. The full InChI is InChI=1S/C12H21N/c1-3-6-11-7-4-5-8-12(13-2)10-9-11/h9-11H,3-8H2,1-2H3/b10-9?,13-12+.
What are the key properties of N-methyl-4-propylcyclooct-2-en-1-imine?
N-methyl-4-propylcyclooct-2-en-1-imine has a molecular weight of 179.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-propylcyclooct-2-en-1-imine is sourced from PubChem (CID 91309615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).