N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine

C19H39NO2 — CID 151655071

IUPACN,N-diethyl-1,1-dimethoxytridec-3-en-5-amine
SMILESCCCCCCCCC(C=CCC(OC)OC)N(CC)CC
InChIInChI=1S/C19H39NO2/c1-6-9-10-11-12-13-15-18(20(7-2)8-3)16-14-17-19(21-4)22-5/h14,16,18-19H,6-13,15,17H2,1-5H3
InChIKeyQVICDTSNZMRFHG-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.01
Rot. Bonds15

About N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine

N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine (PubChem CID 151655071) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-dimethoxytridec-3-en-5-amine
PubChem CID151655071
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC NameN,N-diethyl-1,1-dimethoxytridec-3-en-5-amine
SMILESCCCCCCCCC(C=CCC(OC)OC)N(CC)CC
InChIInChI=1S/C19H39NO2/c1-6-9-10-11-12-13-15-18(20(7-2)8-3)16-14-17-19(21-4)22-5/h14,16,18-19H,6-13,15,17H2,1-5H3
InChIKeyQVICDTSNZMRFHG-UHFFFAOYSA-N
XLogP5.01
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 55.01
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-[(E)-6,6-dimethoxyhex-3-en-2-yl]piperidine
CID 12625778
1-(6,6-Dimethoxyhex-3-en-2-yl)piperidine
CID 57162000
1,1-diethoxy-N,N-diethyldodec-2-en-4-amine
CID 150556041
N,N-diethyl-1,1-dimethoxydodec-2-en-4-amine
CID 151410232
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
1,1-dimethoxy-N,N-dimethyltridec-2-en-4-amine
CID 160133527
1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
CID 172680926
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

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine?
The IUPAC name of N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine (CID 151655071) is N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine.
What is the SMILES notation for N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine?
The canonical SMILES for N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine is CCCCCCCCC(C=CCC(OC)OC)N(CC)CC.
What is the InChIKey of N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine?
The InChIKey is QVICDTSNZMRFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-6-9-10-11-12-13-15-18(20(7-2)8-3)16-14-17-19(21-4)22-5/h14,16,18-19H,6-13,15,17H2,1-5H3.
What are the key properties of N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine?
N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine has a molecular weight of 313.53 g/mol, XLogP of 5.01, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-dimethoxytridec-3-en-5-amine is sourced from PubChem (CID 151655071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).