2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol

C17H35NO — CID 150708407

IUPAC2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol
SMILESCC=C(C)C(NCCCCCCCCC)C(C)(C)O
InChIInChI=1S/C17H35NO/c1-6-8-9-10-11-12-13-14-18-16(15(3)7-2)17(4,5)19/h7,16,18-19H,6,8-14H2,1-5H3
InChIKeyJNITTXDRVJOQBD-UHFFFAOYSA-N
MW269.47 g/mol
LogP4.43
Rot. Bonds11

About 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol

2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol (PubChem CID 150708407) has the molecular formula C17H35NO and a molecular weight of 269.47 g/mol. Its IUPAC name is 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol
PubChem CID150708407
Molecular FormulaC17H35NO
Molecular Weight269.47 g/mol
Exact Mass269.27
IUPAC Name2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol
SMILESCC=C(C)C(NCCCCCCCCC)C(C)(C)O
InChIInChI=1S/C17H35NO/c1-6-8-9-10-11-12-13-14-18-16(15(3)7-2)17(4,5)19/h7,16,18-19H,6,8-14H2,1-5H3
InChIKeyJNITTXDRVJOQBD-UHFFFAOYSA-N
XLogP4.43
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.43
H-Bond Donors ≤ 52
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 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol?
The IUPAC name of 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol (CID 150708407) is 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol.
What is the SMILES notation for 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol?
The canonical SMILES for 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol is CC=C(C)C(NCCCCCCCCC)C(C)(C)O.
What is the InChIKey of 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol?
The InChIKey is JNITTXDRVJOQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35NO/c1-6-8-9-10-11-12-13-14-18-16(15(3)7-2)17(4,5)19/h7,16,18-19H,6,8-14H2,1-5H3.
What are the key properties of 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol?
2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol has a molecular weight of 269.47 g/mol, XLogP of 4.43, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-3-(nonylamino)hex-4-en-2-ol is sourced from PubChem (CID 150708407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).