5-(dipentylamino)-2-methylpent-2-enoic acid

C16H31NO2 — CID 57016952

IUPAC5-(dipentylamino)-2-methylpent-2-enoic acid
SMILESCCCCCN(CCC=C(C)C(=O)O)CCCCC
InChIInChI=1S/C16H31NO2/c1-4-6-8-12-17(13-9-7-5-2)14-10-11-15(3)16(18)19/h11H,4-10,12-14H2,1-3H3,(H,18,19)
InChIKeyKOKTWBIYDHFWGD-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.09
Rot. Bonds12

About 5-(dipentylamino)-2-methylpent-2-enoic acid

5-(dipentylamino)-2-methylpent-2-enoic acid (PubChem CID 57016952) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 5-(dipentylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name5-(dipentylamino)-2-methylpent-2-enoic acid
PubChem CID57016952
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name5-(dipentylamino)-2-methylpent-2-enoic acid
SMILESCCCCCN(CCC=C(C)C(=O)O)CCCCC
InChIInChI=1S/C16H31NO2/c1-4-6-8-12-17(13-9-7-5-2)14-10-11-15(3)16(18)19/h11H,4-10,12-14H2,1-3H3,(H,18,19)
InChIKeyKOKTWBIYDHFWGD-UHFFFAOYSA-N
XLogP4.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(dipentylamino)-2-methylpent-2-enoic acid?
The IUPAC name of 5-(dipentylamino)-2-methylpent-2-enoic acid (CID 57016952) is 5-(dipentylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for 5-(dipentylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for 5-(dipentylamino)-2-methylpent-2-enoic acid is CCCCCN(CCC=C(C)C(=O)O)CCCCC.
What is the InChIKey of 5-(dipentylamino)-2-methylpent-2-enoic acid?
The InChIKey is KOKTWBIYDHFWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-4-6-8-12-17(13-9-7-5-2)14-10-11-15(3)16(18)19/h11H,4-10,12-14H2,1-3H3,(H,18,19).
What are the key properties of 5-(dipentylamino)-2-methylpent-2-enoic acid?
5-(dipentylamino)-2-methylpent-2-enoic acid has a molecular weight of 269.43 g/mol, XLogP of 4.09, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dipentylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 57016952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).