(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide

C23H45N3O — CID 174700113

IUPAC(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N=C(N(C)C)N(C)C
InChIInChI=1S/C23H45N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(27)24-23(25(2)3)26(4)5/h13-14H,6-12,15-21H2,1-5H3/b14-13-
InChIKeyRQTIZEPUNSGZCX-YPKPFQOOSA-N
MW379.63 g/mol
LogP6.03
Rot. Bonds15

About (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide

(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide (PubChem CID 174700113) has the molecular formula C23H45N3O and a molecular weight of 379.63 g/mol. Its IUPAC name is (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide
PubChem CID174700113
Molecular FormulaC23H45N3O
Molecular Weight379.63 g/mol
Exact Mass379.36
IUPAC Name(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N=C(N(C)C)N(C)C
InChIInChI=1S/C23H45N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(27)24-23(25(2)3)26(4)5/h13-14H,6-12,15-21H2,1-5H3/b14-13-
InChIKeyRQTIZEPUNSGZCX-YPKPFQOOSA-N
XLogP6.03
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.63
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-octadec-9-enoyliminoethylidene)octadec-9-enamide
CID 141391259
N,N'-bis[bis(dimethylamino)methylidene]pentanediamide
CID 177107454
(Z)-N-ethylideneoctadec-9-enamide
CID 174343608
(Z)-N-sulfanylideneoctadec-9-enamide
CID 174916160
(Z)-N-methyl-N-[(Z)-octadec-9-enoyl]octadec-9-enamide
CID 87122840
(E)-triacont-15-ene-8,23-dione
CID 11849500
N,N-dimethylmethanamine;(Z)-octadec-9-enamide;dihydrochloride
CID 174573210
(Z)-N,N-dimethyloctadec-9-enamide;phosphoric acid
CID 174485021
(Z)-N,N-di(tetradecanoyl)octadec-9-enamide
CID 175402772
(E)-N,N-dimethyldec-4-enamide
CID 13308680
(E)-nonadec-7-enoic acid
CID 5312514
(7Z,15Z)-docosa-7,15-dienoic acid
CID 52921832

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide?
The IUPAC name of (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide (CID 174700113) is (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide?
The canonical SMILES for (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N=C(N(C)C)N(C)C.
What is the InChIKey of (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide?
The InChIKey is RQTIZEPUNSGZCX-YPKPFQOOSA-N. The full InChI is InChI=1S/C23H45N3O/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(27)24-23(25(2)3)26(4)5/h13-14H,6-12,15-21H2,1-5H3/b14-13-.
What are the key properties of (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide?
(Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide has a molecular weight of 379.63 g/mol, XLogP of 6.03, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[bis(dimethylamino)methylidene]octadec-9-enamide is sourced from PubChem (CID 174700113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).