N,N-dimethylmethanamine;(Z)-octadec-9-enal

C21H43NO — CID 174690016

IUPACN,N-dimethylmethanamine;(Z)-octadec-9-enal
SMILESCCCCCCCC/C=C\CCCCCCCC=O.CN(C)C
InChIInChI=1S/C18H34O.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h9-10,18H,2-8,11-17H2,1H3;1-3H3/b10-9-;
InChIKeyRLGQTQFQPZUGGH-KVVVOXFISA-N
MW325.58 g/mol
LogP6.40
Rot. Bonds15

About N,N-dimethylmethanamine;(Z)-octadec-9-enal

N,N-dimethylmethanamine;(Z)-octadec-9-enal (PubChem CID 174690016) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is N,N-dimethylmethanamine;(Z)-octadec-9-enal.

Molecular Properties

Compound NameN,N-dimethylmethanamine;(Z)-octadec-9-enal
PubChem CID174690016
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC NameN,N-dimethylmethanamine;(Z)-octadec-9-enal
SMILESCCCCCCCC/C=C\CCCCCCCC=O.CN(C)C
InChIInChI=1S/C18H34O.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h9-10,18H,2-8,11-17H2,1H3;1-3H3/b10-9-;
InChIKeyRLGQTQFQPZUGGH-KVVVOXFISA-N
XLogP6.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;(Z)-octadec-9-enal?
The IUPAC name of N,N-dimethylmethanamine;(Z)-octadec-9-enal (CID 174690016) is N,N-dimethylmethanamine;(Z)-octadec-9-enal.
What is the SMILES notation for N,N-dimethylmethanamine;(Z)-octadec-9-enal?
The canonical SMILES for N,N-dimethylmethanamine;(Z)-octadec-9-enal is CCCCCCCC/C=C\CCCCCCCC=O.CN(C)C.
What is the InChIKey of N,N-dimethylmethanamine;(Z)-octadec-9-enal?
The InChIKey is RLGQTQFQPZUGGH-KVVVOXFISA-N. The full InChI is InChI=1S/C18H34O.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-4(2)3/h9-10,18H,2-8,11-17H2,1H3;1-3H3/b10-9-;.
What are the key properties of N,N-dimethylmethanamine;(Z)-octadec-9-enal?
N,N-dimethylmethanamine;(Z)-octadec-9-enal has a molecular weight of 325.58 g/mol, XLogP of 6.40, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;(Z)-octadec-9-enal is sourced from PubChem (CID 174690016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).