22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane

C65H134N2O — CID 157042589

IUPAC22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane
SMILESC=C(CCCCCCCCC(CCCCCCCCC)NC)CCC(CCCC)CCCCCC.C=CCCC(CC)CCCCCC.C=O.CCC.CCCCCCCCCCN1CCCC1
InChIInChI=1S/C34H69N.C14H29N.C13H26.C3H8.CH2O/c1-6-9-12-14-15-19-23-28-34(35-5)29-24-20-17-16-18-21-25-32(4)30-31-33(26-11-8-3)27-22-13-10-7-2;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15;1-4-7-9-10-12-13(6-3)11-8-5-2;1-3-2;1-2/h33-35H,4,6-31H2,1-3,5H3;2-14H2,1H3;5,13H,2,4,6-12H2,1,3H3;3H2,1-2H3;1H2
InChIKeyPNTKLWZZPDYCHO-UHFFFAOYSA-N
MW959.80 g/mol
LogP22.35
Rot. Bonds47

About 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane

22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane (PubChem CID 157042589) has the molecular formula C65H134N2O and a molecular weight of 959.80 g/mol. Its IUPAC name is 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane.

Molecular Properties

Compound Name22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane
PubChem CID157042589
Molecular FormulaC65H134N2O
Molecular Weight959.80 g/mol
Exact Mass959.05
IUPAC Name22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane
SMILESC=C(CCCCCCCCC(CCCCCCCCC)NC)CCC(CCCC)CCCCCC.C=CCCC(CC)CCCCCC.C=O.CCC.CCCCCCCCCCN1CCCC1
InChIInChI=1S/C34H69N.C14H29N.C13H26.C3H8.CH2O/c1-6-9-12-14-15-19-23-28-34(35-5)29-24-20-17-16-18-21-25-32(4)30-31-33(26-11-8-3)27-22-13-10-7-2;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15;1-4-7-9-10-12-13(6-3)11-8-5-2;1-3-2;1-2/h33-35H,4,6-31H2,1-3,5H3;2-14H2,1H3;5,13H,2,4,6-12H2,1,3H3;3H2,1-2H3;1H2
InChIKeyPNTKLWZZPDYCHO-UHFFFAOYSA-N
XLogP22.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds47
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500959.80
LogP ≤ 522.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane with MolForge

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Related Compounds

14-ethyl-11-methylideneoctacosane
CID 142291477
1,3-ditert-butyl-5-ethenylbenzene;1-[(Z)-4,10-dimethylidene-7-propylheptacos-21-enyl]pyrrolidine
CID 156749356
9-ethyl-6-methylidenetetradecanal;pentane
CID 171634494
N-methylpentadec-1-en-8-amine
CID 107011425
11-ethyl-9-methylidenehexadec-1-ene
CID 155570249
1-(3-pentylundecyl)pyrrolidine
CID 130279564
1-(3-pentyldecyl)pyrrolidine
CID 130279619
1-(4-pentylnonyl)piperidine
CID 68557490
6,26-dipentylhentriacontan-16-yl 4-pyrrolidin-1-ylbutanoate
CID 144641665
6-ethyltridec-1-ene
CID 174048481
8-ethylpentadec-1-ene
CID 91081893
10-ethyldocos-1-ene
CID 91804827

Frequently Asked Questions

What is the IUPAC name of 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane?
The IUPAC name of 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane (CID 157042589) is 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane.
What is the SMILES notation for 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane?
The canonical SMILES for 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane is C=C(CCCCCCCCC(CCCCCCCCC)NC)CCC(CCCC)CCCCCC.C=CCCC(CC)CCCCCC.C=O.CCC.CCCCCCCCCCN1CCCC1.
What is the InChIKey of 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane?
The InChIKey is PNTKLWZZPDYCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H69N.C14H29N.C13H26.C3H8.CH2O/c1-6-9-12-14-15-19-23-28-34(35-5)29-24-20-17-16-18-21-25-32(4)30-31-33(26-11-8-3)27-22-13-10-7-2;1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-15;1-4-7-9-10-12-13(6-3)11-8-5-2;1-3-2;1-2/h33-35H,4,6-31H2,1-3,5H3;2-14H2,1H3;5,13H,2,4,6-12H2,1,3H3;3H2,1-2H3;1H2.
What are the key properties of 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane?
22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane has a molecular weight of 959.80 g/mol, XLogP of 22.35, 47 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22-butyl-N-methyl-19-methylideneoctacosan-10-amine;1-decylpyrrolidine;5-ethylundec-1-ene;formaldehyde;propane is sourced from PubChem (CID 157042589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).