1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine

C19H39NO2 — CID 172686686

IUPAC1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine
SMILESCCCCCCCCCC(C=CC(OCC)OCC)N(C)C
InChIInChI=1S/C19H39NO2/c1-6-9-10-11-12-13-14-15-18(20(4)5)16-17-19(21-7-2)22-8-3/h16-19H,6-15H2,1-5H3
InChIKeyBCZRWAVQGWGWHC-UHFFFAOYSA-N
MW313.53 g/mol
LogP5.01
Rot. Bonds15

About 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine

1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine (PubChem CID 172686686) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine.

Molecular Properties

Compound Name1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine
PubChem CID172686686
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC Name1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine
SMILESCCCCCCCCCC(C=CC(OCC)OCC)N(C)C
InChIInChI=1S/C19H39NO2/c1-6-9-10-11-12-13-14-15-18(20(4)5)16-17-19(21-7-2)22-8-3/h16-19H,6-15H2,1-5H3
InChIKeyBCZRWAVQGWGWHC-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

1,1-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-methoxydodec-2-en-4-amine
CID 151436173
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
1,1-dimethoxy-N,N-dimethyltridec-2-en-4-amine
CID 160133527
1,1-diethoxy-N,N-dimethyltetradec-3-en-5-amine
CID 172680926

Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine?
The IUPAC name of 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine (CID 172686686) is 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine.
What is the SMILES notation for 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine?
The canonical SMILES for 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine is CCCCCCCCCC(C=CC(OCC)OCC)N(C)C.
What is the InChIKey of 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine?
The InChIKey is BCZRWAVQGWGWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-6-9-10-11-12-13-14-15-18(20(4)5)16-17-19(21-7-2)22-8-3/h16-19H,6-15H2,1-5H3.
What are the key properties of 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine?
1,1-diethoxy-N,N-dimethyltridec-2-en-4-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 1,1-diethoxy-N,N-dimethyltridec-2-en-4-amine is sourced from PubChem (CID 172686686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).