[4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate

C24H41NO2 — CID 140571158

IUPAC[4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(N(C2CCC(C)CC2)C2CCC(C)CC2)CC1C
InChIInChI=1S/C24H41NO2/c1-5-24(26)27-23-15-14-22(16-19(23)4)25(20-10-6-17(2)7-11-20)21-12-8-18(3)9-13-21/h5,17-23H,1,6-16H2,2-4H3
InChIKeyIZZRXWTTYAMYGC-UHFFFAOYSA-N
MW375.60 g/mol
LogP5.73
Rot. Bonds5

About [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate

[4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate (PubChem CID 140571158) has the molecular formula C24H41NO2 and a molecular weight of 375.60 g/mol. Its IUPAC name is [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate.

Molecular Properties

Compound Name[4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate
PubChem CID140571158
Molecular FormulaC24H41NO2
Molecular Weight375.60 g/mol
Exact Mass375.31
IUPAC Name[4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate
SMILESC=CC(=O)OC1CCC(N(C2CCC(C)CC2)C2CCC(C)CC2)CC1C
InChIInChI=1S/C24H41NO2/c1-5-24(26)27-23-15-14-22(16-19(23)4)25(20-10-6-17(2)7-11-20)21-12-8-18(3)9-13-21/h5,17-23H,1,6-16H2,2-4H3
InChIKeyIZZRXWTTYAMYGC-UHFFFAOYSA-N
XLogP5.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.60
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
(4-ethyl-2-prop-2-enoyloxycyclohexyl) prop-2-enoate
CID 173227335
(2,4-dimethylcyclohexyl) 2-methylprop-2-enoate
CID 66694520
[4-[4-[cyclohexyl-(4-cyclohexyloxycyclohexyl)amino]cyclohexyl]cyclohexyl] prop-2-enoate
CID 140571130
[4-[2-[4-[bis(4-methylcyclohexyl)amino]cyclohexyl]ethenyl]cyclohexyl] 2-methylprop-2-enoate
CID 140571106
(2,4-dimethylcyclohexyl) propanoate
CID 129231866
(12-methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 59060410
(5-methyl-4-tricyclo[5.3.1.13,9]dodecanyl) prop-2-enoate
CID 130312887
(3-methyloxolan-2-yl) prop-2-enoate
CID 152547520
CID 159294157
CID 159294157
9-oxatetracyclo[5.3.1.02,6.08,10]undecan-3-yl prop-2-enoate
CID 59642033
tert-butyl prop-2-enoate
CID 158231977

Frequently Asked Questions

What is the IUPAC name of [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate?
The IUPAC name of [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate (CID 140571158) is [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate.
What is the SMILES notation for [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate?
The canonical SMILES for [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate is C=CC(=O)OC1CCC(N(C2CCC(C)CC2)C2CCC(C)CC2)CC1C.
What is the InChIKey of [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate?
The InChIKey is IZZRXWTTYAMYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41NO2/c1-5-24(26)27-23-15-14-22(16-19(23)4)25(20-10-6-17(2)7-11-20)21-12-8-18(3)9-13-21/h5,17-23H,1,6-16H2,2-4H3.
What are the key properties of [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate?
[4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate has a molecular weight of 375.60 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[bis(4-methylcyclohexyl)amino]-2-methylcyclohexyl] prop-2-enoate is sourced from PubChem (CID 140571158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).