formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene

C30H51NO — CID 142282678

IUPACformaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
SMILESC=C(C)CCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1.C=O.CN
InChIInChI=1S/C28H44.CH5N.CH2O/c1-4-5-6-7-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(13-17-26)9-8-22(2)3;2*1-2/h12-13,16-17,23,25,27-28H,2,4-11,14-15,18-21H2,1,3H3;2H2,1H3;1H2
InChIKeyGRQOCMKMOKSFCI-UHFFFAOYSA-N
MW441.74 g/mol
LogP8.25
Rot. Bonds9

About formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene

formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene (PubChem CID 142282678) has the molecular formula C30H51NO and a molecular weight of 441.74 g/mol. Its IUPAC name is formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene.

Molecular Properties

Compound Nameformaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
PubChem CID142282678
Molecular FormulaC30H51NO
Molecular Weight441.74 g/mol
Exact Mass441.40
IUPAC Nameformaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
SMILESC=C(C)CCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1.C=O.CN
InChIInChI=1S/C28H44.CH5N.CH2O/c1-4-5-6-7-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(13-17-26)9-8-22(2)3;2*1-2/h12-13,16-17,23,25,27-28H,2,4-11,14-15,18-21H2,1,3H3;2H2,1H3;1H2
InChIKeyGRQOCMKMOKSFCI-UHFFFAOYSA-N
XLogP8.25
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.74
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-N-[2-[4-[4-(4-pentylcyclohexyl)cyclohexyl]phenyl]ethyl]prop-2-enamide
CID 134246489
ethyl 4-[4-(4-pentylcyclohexyl)phenyl]butanoate
CID 138529185
N-[3-[4-(4-heptylcyclohexyl)phenyl]propyl]-2-methylprop-2-enamide
CID 134246486
1-pentyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 15606766
1-(4-heptylcyclohexyl)-4-propylbenzene
CID 14941603
1-nonyl-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 22008062
1-dodecyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539025
1-hexyl-4-[4-(4-octylcyclohexyl)phenyl]benzene
CID 20539240
1-hexyl-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20539325
1-hexyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20539243
1-heptyl-4-[4-(4-nonylcyclohexyl)phenyl]benzene
CID 20538951
N,2-dimethyl-N-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]prop-2-enamide
CID 134246264

Frequently Asked Questions

What is the IUPAC name of formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene?
The IUPAC name of formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene (CID 142282678) is formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene.
What is the SMILES notation for formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene?
The canonical SMILES for formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene is C=C(C)CCc1ccc(C2CCC(C3CCC(CCCCC)CC3)CC2)cc1.C=O.CN.
What is the InChIKey of formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene?
The InChIKey is GRQOCMKMOKSFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H44.CH5N.CH2O/c1-4-5-6-7-23-10-14-25(15-11-23)27-18-20-28(21-19-27)26-16-12-24(13-17-26)9-8-22(2)3;2*1-2/h12-13,16-17,23,25,27-28H,2,4-11,14-15,18-21H2,1,3H3;2H2,1H3;1H2.
What are the key properties of formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene?
formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene has a molecular weight of 441.74 g/mol, XLogP of 8.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;methanamine;1-(3-methylbut-3-enyl)-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene is sourced from PubChem (CID 142282678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).