6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine

C29H59NO — CID 146336876

IUPAC6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine
SMILESC=C(CCCC)C(CCCCCC)CCCCCCCCCOCCCCCCNC
InChIInChI=1S/C29H59NO/c1-5-7-9-17-23-29(28(3)22-8-6-2)24-18-13-11-10-12-15-20-26-31-27-21-16-14-19-25-30-4/h29-30H,3,5-27H2,1-2,4H3
InChIKeyDQSANGSDGTXPLO-UHFFFAOYSA-N
MW437.80 g/mol
LogP9.24
Rot. Bonds26

About 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine

6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine (PubChem CID 146336876) has the molecular formula C29H59NO and a molecular weight of 437.80 g/mol. Its IUPAC name is 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine.

Molecular Properties

Compound Name6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine
PubChem CID146336876
Molecular FormulaC29H59NO
Molecular Weight437.80 g/mol
Exact Mass437.46
IUPAC Name6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine
SMILESC=C(CCCC)C(CCCCCC)CCCCCCCCCOCCCCCCNC
InChIInChI=1S/C29H59NO/c1-5-7-9-17-23-29(28(3)22-8-6-2)24-18-13-11-10-12-15-20-26-31-27-21-16-14-19-25-30-4/h29-30H,3,5-27H2,1-2,4H3
InChIKeyDQSANGSDGTXPLO-UHFFFAOYSA-N
XLogP9.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds26
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.80
LogP ≤ 59.24
H-Bond Donors ≤ 51
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 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine?
The IUPAC name of 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine (CID 146336876) is 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine.
What is the SMILES notation for 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine?
The canonical SMILES for 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine is C=C(CCCC)C(CCCCCC)CCCCCCCCCOCCCCCCNC.
What is the InChIKey of 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine?
The InChIKey is DQSANGSDGTXPLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H59NO/c1-5-7-9-17-23-29(28(3)22-8-6-2)24-18-13-11-10-12-15-20-26-31-27-21-16-14-19-25-30-4/h29-30H,3,5-27H2,1-2,4H3.
What are the key properties of 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine?
6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine has a molecular weight of 437.80 g/mol, XLogP of 9.24, 26 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(10-hex-1-en-2-ylhexadecoxy)-N-methylhexan-1-amine is sourced from PubChem (CID 146336876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).