6-(decylamino)-2-methylhept-6-en-3-ol

C18H37NO — CID 174260378

IUPAC6-(decylamino)-2-methylhept-6-en-3-ol
SMILESC=C(CCC(O)C(C)C)NCCCCCCCCCC
InChIInChI=1S/C18H37NO/c1-5-6-7-8-9-10-11-12-15-19-17(4)13-14-18(20)16(2)3/h16,18-20H,4-15H2,1-3H3
InChIKeyAXPZLLXULAKGMX-UHFFFAOYSA-N
MW283.50 g/mol
LogP5.03
Rot. Bonds14

About 6-(decylamino)-2-methylhept-6-en-3-ol

6-(decylamino)-2-methylhept-6-en-3-ol (PubChem CID 174260378) has the molecular formula C18H37NO and a molecular weight of 283.50 g/mol. Its IUPAC name is 6-(decylamino)-2-methylhept-6-en-3-ol.

Molecular Properties

Compound Name6-(decylamino)-2-methylhept-6-en-3-ol
PubChem CID174260378
Molecular FormulaC18H37NO
Molecular Weight283.50 g/mol
Exact Mass283.29
IUPAC Name6-(decylamino)-2-methylhept-6-en-3-ol
SMILESC=C(CCC(O)C(C)C)NCCCCCCCCCC
InChIInChI=1S/C18H37NO/c1-5-6-7-8-9-10-11-12-15-19-17(4)13-14-18(20)16(2)3/h16,18-20H,4-15H2,1-3H3
InChIKeyAXPZLLXULAKGMX-UHFFFAOYSA-N
XLogP5.03
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.50
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(decylamino)-2-methylhept-6-en-3-ol?
The IUPAC name of 6-(decylamino)-2-methylhept-6-en-3-ol (CID 174260378) is 6-(decylamino)-2-methylhept-6-en-3-ol.
What is the SMILES notation for 6-(decylamino)-2-methylhept-6-en-3-ol?
The canonical SMILES for 6-(decylamino)-2-methylhept-6-en-3-ol is C=C(CCC(O)C(C)C)NCCCCCCCCCC.
What is the InChIKey of 6-(decylamino)-2-methylhept-6-en-3-ol?
The InChIKey is AXPZLLXULAKGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO/c1-5-6-7-8-9-10-11-12-15-19-17(4)13-14-18(20)16(2)3/h16,18-20H,4-15H2,1-3H3.
What are the key properties of 6-(decylamino)-2-methylhept-6-en-3-ol?
6-(decylamino)-2-methylhept-6-en-3-ol has a molecular weight of 283.50 g/mol, XLogP of 5.03, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(decylamino)-2-methylhept-6-en-3-ol is sourced from PubChem (CID 174260378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).