1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine

C20H41NO2 — CID 172680926

IUPAC1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
SMILESCCCCCCCCCC(C=CCC(OCC)OCC)N(C)C
InChIInChI=1S/C20H41NO2/c1-6-9-10-11-12-13-14-16-19(21(4)5)17-15-18-20(22-7-2)23-8-3/h15,17,19-20H,6-14,16,18H2,1-5H3
InChIKeyAJQIHVGDEBYSDK-UHFFFAOYSA-N
MW327.55 g/mol
LogP5.40
Rot. Bonds16

About 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine

1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine (PubChem CID 172680926) has the molecular formula C20H41NO2 and a molecular weight of 327.55 g/mol. Its IUPAC name is 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine.

Molecular Properties

Compound Name1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
PubChem CID172680926
Molecular FormulaC20H41NO2
Molecular Weight327.55 g/mol
Exact Mass327.31
IUPAC Name1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
SMILESCCCCCCCCCC(C=CCC(OCC)OCC)N(C)C
InChIInChI=1S/C20H41NO2/c1-6-9-10-11-12-13-14-16-19(21(4)5)17-15-18-20(22-7-2)23-8-3/h15,17,19-20H,6-14,16,18H2,1-5H3
InChIKeyAJQIHVGDEBYSDK-UHFFFAOYSA-N
XLogP5.40
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.55
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
CID 150556041
N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine
CID 151410232
N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine
CID 151655071
1,1-dimethoxy-N,N-dimethyldodec-2-en-4-amine
CID 152021483
1,1-diethoxy-N,N-dimethyldodec-2-en-4-amine
CID 152068192
1,1-diethoxy-N,N-dimethyltridec-3-en-5-amine
CID 152205505
(E)-N,N-dimethyl-11-propoxyundec-8-en-4-amine
CID 154962067
1,1-dimethoxy-N,N-dimethyltridec-2-en-4-amine
CID 160133527
1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine
CID 172686686
1-(1,1-Dimethoxynon-3-en-5-yl)piperidine
CID 3597914
5-Piperidino-3-nonenal dimethyl acetal
CID 5871188
1-[(E,5S)-1,1-dimethoxynon-3-en-5-yl]piperidine
CID 92197458

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine?
The IUPAC name of 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine (CID 172680926) is 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine.
What is the SMILES notation for 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine?
The canonical SMILES for 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine is CCCCCCCCCC(C=CCC(OCC)OCC)N(C)C.
What is the InChIKey of 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine?
The InChIKey is AJQIHVGDEBYSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO2/c1-6-9-10-11-12-13-14-16-19(21(4)5)17-15-18-20(22-7-2)23-8-3/h15,17,19-20H,6-14,16,18H2,1-5H3.
What are the key properties of 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine?
1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine has a molecular weight of 327.55 g/mol, XLogP of 5.40, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine is sourced from PubChem (CID 172680926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).