(E)-3-(dipentylamino)-2-methylpent-2-enoic acid

C16H31NO2 — CID 23166160

IUPAC(E)-3-(dipentylamino)-2-methylpent-2-enoic acid
SMILESCCCCCN(CCCCC)/C(CC)=C(\C)C(=O)O
InChIInChI=1S/C16H31NO2/c1-5-8-10-12-17(13-11-9-6-2)15(7-3)14(4)16(18)19/h5-13H2,1-4H3,(H,18,19)/b15-14+
InChIKeyDDJJJEITSUCVAS-CCEZHUSRSA-N
MW269.43 g/mol
LogP4.44
Rot. Bonds11

About (E)-3-(dipentylamino)-2-methylpent-2-enoic acid

(E)-3-(dipentylamino)-2-methylpent-2-enoic acid (PubChem CID 23166160) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (E)-3-(dipentylamino)-2-methylpent-2-enoic acid.

Molecular Properties

Compound Name(E)-3-(dipentylamino)-2-methylpent-2-enoic acid
PubChem CID23166160
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(E)-3-(dipentylamino)-2-methylpent-2-enoic acid
SMILESCCCCCN(CCCCC)/C(CC)=C(\C)C(=O)O
InChIInChI=1S/C16H31NO2/c1-5-8-10-12-17(13-11-9-6-2)15(7-3)14(4)16(18)19/h5-13H2,1-4H3,(H,18,19)/b15-14+
InChIKeyDDJJJEITSUCVAS-CCEZHUSRSA-N
XLogP4.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.44
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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Related Compounds

4-(dipentylamino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993180
3-(diethylamino)-2-methylhenicos-2-enoic acid
CID 173010422
hexyl(octadecyl)carbamic acid
CID 87702094
3-(dimethylamino)-2-methylpent-2-enoic acid
CID 57208112
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
(E)-3-(dimethylamino)-2-methyltridec-2-enoic acid
CID 87206678
3-(dimethylamino)-2-methylnonadec-2-enoic acid
CID 154482732
N-butyl-N-heptylacetamide
CID 91713167
N,N,N',N'-tetrahexyloxamide
CID 6424911
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dipentylamino)-2-methylpent-2-enoic acid?
The IUPAC name of (E)-3-(dipentylamino)-2-methylpent-2-enoic acid (CID 23166160) is (E)-3-(dipentylamino)-2-methylpent-2-enoic acid.
What is the SMILES notation for (E)-3-(dipentylamino)-2-methylpent-2-enoic acid?
The canonical SMILES for (E)-3-(dipentylamino)-2-methylpent-2-enoic acid is CCCCCN(CCCCC)/C(CC)=C(\C)C(=O)O.
What is the InChIKey of (E)-3-(dipentylamino)-2-methylpent-2-enoic acid?
The InChIKey is DDJJJEITSUCVAS-CCEZHUSRSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-8-10-12-17(13-11-9-6-2)15(7-3)14(4)16(18)19/h5-13H2,1-4H3,(H,18,19)/b15-14+.
What are the key properties of (E)-3-(dipentylamino)-2-methylpent-2-enoic acid?
(E)-3-(dipentylamino)-2-methylpent-2-enoic acid has a molecular weight of 269.43 g/mol, XLogP of 4.44, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dipentylamino)-2-methylpent-2-enoic acid is sourced from PubChem (CID 23166160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).