3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine

C19H37NO — CID 153293938

IUPAC3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C(C)C(CC/C(=C\C)CCCCC)OCCCN(C)C
InChIInChI=1S/C19H37NO/c1-7-9-10-12-18(8-2)13-14-19(17(3)4)21-16-11-15-20(5)6/h8,19H,3,7,9-16H2,1-2,4-6H3/b18-8-
InChIKeySZBGTMQTTCDDOC-LSCVHKIXSA-N
MW295.51 g/mol
LogP5.21
Rot. Bonds13

About 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine

3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine (PubChem CID 153293938) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
PubChem CID153293938
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine
SMILESC=C(C)C(CC/C(=C\C)CCCCC)OCCCN(C)C
InChIInChI=1S/C19H37NO/c1-7-9-10-12-18(8-2)13-14-19(17(3)4)21-16-11-15-20(5)6/h8,19H,3,7,9-16H2,1-2,4-6H3/b18-8-
InChIKeySZBGTMQTTCDDOC-LSCVHKIXSA-N
XLogP5.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.51
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine (CID 153293938) is 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine is C=C(C)C(CC/C(=C\C)CCCCC)OCCCN(C)C.
What is the InChIKey of 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
The InChIKey is SZBGTMQTTCDDOC-LSCVHKIXSA-N. The full InChI is InChI=1S/C19H37NO/c1-7-9-10-12-18(8-2)13-14-19(17(3)4)21-16-11-15-20(5)6/h8,19H,3,7,9-16H2,1-2,4-6H3/b18-8-.
What are the key properties of 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine?
3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 5.21, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6Z)-6-ethylidene-2-methylundec-1-en-3-yl]oxy-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 153293938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).