(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine

C21H36N2O — CID 23426295

IUPAC(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
SMILESCON(C)CCCCCCCC/C=C\CCCCc1cccnc1
InChIInChI=1S/C21H36N2O/c1-23(24-2)19-14-12-10-8-6-4-3-5-7-9-11-13-16-21-17-15-18-22-20-21/h5,7,15,17-18,20H,3-4,6,8-14,16,19H2,1-2H3/b7-5-
InChIKeyCFFZTNFSYWKUCA-ALCCZGGFSA-N
MW332.53 g/mol
LogP5.57
Rot. Bonds15

About (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine

(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine (PubChem CID 23426295) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine.

Molecular Properties

Compound Name(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
PubChem CID23426295
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine
SMILESCON(C)CCCCCCCC/C=C\CCCCc1cccnc1
InChIInChI=1S/C21H36N2O/c1-23(24-2)19-14-12-10-8-6-4-3-5-7-9-11-13-16-21-17-15-18-22-20-21/h5,7,15,17-18,20H,3-4,6,8-14,16,19H2,1-2H3/b7-5-
InChIKeyCFFZTNFSYWKUCA-ALCCZGGFSA-N
XLogP5.57
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methoxy-N-methyl-18-pyridin-3-yloctadec-11-en-13-yn-1-amine
CID 10452637
(E)-12-pyridin-3-yldodec-3-en-1-ol
CID 11043541
3-[(E)-7-iodohept-6-enyl]pyridine
CID 11833526
(Z)-18-pyridin-3-yloctadec-9-enamide
CID 122703819
(2S,4E,6E)-12-pyridin-3-yldodeca-4,6-dien-2-ol
CID 10061128
tert-butyl N-[(E)-12-pyridin-3-yldodec-3-enyl]carbamate
CID 11142934
N-(14-pyridin-3-yltetradec-11-enylidene)hydroxylamine
CID 85169050
5-butyl-N-methyl-N-(4-pyridin-3-ylbutyl)non-4-en-1-amine
CID 23051542
8-pyridin-3-yloctan-1-ol
CID 11830623
3-(14-methylpentadecyl)pyridine
CID 19697272
N,N-diethyl-3-pyridin-3-ylpropan-1-amine
CID 121009449
N-methyl-14-pyridin-3-yltetradecan-1-amine
CID 11001217

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine?
The IUPAC name of (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine (CID 23426295) is (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine.
What is the SMILES notation for (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine?
The canonical SMILES for (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine is CON(C)CCCCCCCC/C=C\CCCCc1cccnc1.
What is the InChIKey of (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine?
The InChIKey is CFFZTNFSYWKUCA-ALCCZGGFSA-N. The full InChI is InChI=1S/C21H36N2O/c1-23(24-2)19-14-12-10-8-6-4-3-5-7-9-11-13-16-21-17-15-18-22-20-21/h5,7,15,17-18,20H,3-4,6,8-14,16,19H2,1-2H3/b7-5-.
What are the key properties of (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine?
(Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine has a molecular weight of 332.53 g/mol, XLogP of 5.57, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methoxy-N-methyl-14-pyridin-3-yltetradec-9-en-1-amine is sourced from PubChem (CID 23426295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).