N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride

C21H46Cl2N2O — CID 174573210

IUPACN,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CN(C)C.Cl.Cl
InChIInChI=1S/C18H35NO.C3H9N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2)3;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);1-3H3;2*1H/b10-9-;;;
InChIKeyMESYNQRLLDPEHK-BZKIHGKGSA-N
MW413.52 g/mol
LogP6.53
Rot. Bonds15

About N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride

N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride (PubChem CID 174573210) has the molecular formula C21H46Cl2N2O and a molecular weight of 413.52 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride
PubChem CID174573210
Molecular FormulaC21H46Cl2N2O
Molecular Weight413.52 g/mol
Exact Mass412.30
IUPAC NameN,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride
SMILESCCCCCCCC/C=C\CCCCCCCC(N)=O.CN(C)C.Cl.Cl
InChIInChI=1S/C18H35NO.C3H9N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2)3;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);1-3H3;2*1H/b10-9-;;;
InChIKeyMESYNQRLLDPEHK-BZKIHGKGSA-N
XLogP6.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.53
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

mercury;(Z)-octadec-9-enamide;hydrochloride
CID 175499195
(Z)-(113C)octadec-9-enamide
CID 175811454
(Z)-tetratriacont-9-enamide
CID 86624387
(E)-icos-11-enamide
CID 5365373
octadec-8-enamide
CID 57212690
octadec-9-enamide
CID 75990485
(Z)-tricos-15-enamide
CID 155109212
(Z)-octadec-9-enamide;hydrobromide
CID 146504042
(Z)-octadec-9-enamide;platinum
CID 174872668
indigane;(Z)-octadec-9-enamide
CID 174921402
ethanamine;(Z)-octadec-9-enamide
CID 174881781
(Z)-octadec-9-enamide;propan-1-ol
CID 174914657

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride?
The IUPAC name of N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride (CID 174573210) is N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride.
What is the SMILES notation for N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride?
The canonical SMILES for N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride is CCCCCCCC/C=C\CCCCCCCC(N)=O.CN(C)C.Cl.Cl.
What is the InChIKey of N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride?
The InChIKey is MESYNQRLLDPEHK-BZKIHGKGSA-N. The full InChI is InChI=1S/C18H35NO.C3H9N.2ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4(2)3;;/h9-10H,2-8,11-17H2,1H3,(H2,19,20);1-3H3;2*1H/b10-9-;;;.
What are the key properties of N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride?
N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride has a molecular weight of 413.52 g/mol, XLogP of 6.53, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride is sourced from PubChem (CID 174573210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).