2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine

C22H46N2O2 — CID 88520561

IUPAC2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)C.NCC(=O)O
InChIInChI=1S/C20H41N.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;3-1-2(4)5/h11-12H,4-10,13-20H2,1-3H3;1,3H2,(H,4,5)/b12-11-;
InChIKeyRBSYYLABLSPIIO-AFEZEDKISA-N
MW370.62 g/mol
LogP5.62
Rot. Bonds17

About 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine

2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine (PubChem CID 88520561) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine.

Molecular Properties

Compound Name2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine
PubChem CID88520561
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Name2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine
SMILESCCCCCCCC/C=C\CCCCCCCCN(C)C.NCC(=O)O
InChIInChI=1S/C20H41N.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;3-1-2(4)5/h11-12H,4-10,13-20H2,1-3H3;1,3H2,(H,4,5)/b12-11-;
InChIKeyRBSYYLABLSPIIO-AFEZEDKISA-N
XLogP5.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(E)-N,N-dimethylhexadec-10-en-1-amine
CID 102116363
(Z)-N,N-dimethylhenicos-12-en-1-amine
CID 173308130
N,N-dimethylhexadec-7-en-1-amine
CID 3085374
N,N-dimethyloctadecan-1-amine;propanoic acid
CID 173352619
N,N-dimethyldodecan-1-amine;propanoic acid
CID 21226472
carbonic acid;N,N-dimethyldecan-1-amine
CID 174565539
3-(dimethylamino)propyl N,N-bis(octadec-9-enyl)carbamate
CID 123568767
N,N,N'-trimethyl-N'-[(Z)-octadec-9-enyl]propane-1,3-diamine
CID 6437658
N-methyl-N-octadec-9-enyloctadec-9-en-1-amine;octadecanoic acid
CID 173229029
CID 87747954
CID 87747954
CID 175691968
CID 175691968
1-chloroethanol;(Z)-N,N-dimethyloctadec-9-en-1-amine
CID 121437265

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine?
The IUPAC name of 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine (CID 88520561) is 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine.
What is the SMILES notation for 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine?
The canonical SMILES for 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine is CCCCCCCC/C=C\CCCCCCCCN(C)C.NCC(=O)O.
What is the InChIKey of 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine?
The InChIKey is RBSYYLABLSPIIO-AFEZEDKISA-N. The full InChI is InChI=1S/C20H41N.C2H5NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;3-1-2(4)5/h11-12H,4-10,13-20H2,1-3H3;1,3H2,(H,4,5)/b12-11-;.
What are the key properties of 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine?
2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine has a molecular weight of 370.62 g/mol, XLogP of 5.62, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;(Z)-N,N-dimethyloctadec-9-en-1-amine is sourced from PubChem (CID 88520561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).