acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine

C22H46N2O2 — CID 67913130

IUPACacetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
SMILESCC(=O)O.CN(C)CCCNC1CCCCCCCCCCCCCC1
InChIInChI=1S/C20H42N2.C2H4O2/c1-22(2)19-15-18-21-20-16-13-11-9-7-5-3-4-6-8-10-12-14-17-20;1-2(3)4/h20-21H,3-19H2,1-2H3;1H3,(H,3,4)
InChIKeyIPRFAESBCGVYDF-UHFFFAOYSA-N
MW370.62 g/mol
LogP5.46
Rot. Bonds5

About acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine

acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 67913130) has the molecular formula C22H46N2O2 and a molecular weight of 370.62 g/mol. Its IUPAC name is acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Nameacetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID67913130
Molecular FormulaC22H46N2O2
Molecular Weight370.62 g/mol
Exact Mass370.36
IUPAC Nameacetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine
SMILESCC(=O)O.CN(C)CCCNC1CCCCCCCCCCCCCC1
InChIInChI=1S/C20H42N2.C2H4O2/c1-22(2)19-15-18-21-20-16-13-11-9-7-5-3-4-6-8-10-12-14-17-20;1-2(3)4/h20-21H,3-19H2,1-2H3;1H3,(H,3,4)
InChIKeyIPRFAESBCGVYDF-UHFFFAOYSA-N
XLogP5.46
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.62
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine (CID 67913130) is acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine is CC(=O)O.CN(C)CCCNC1CCCCCCCCCCCCCC1.
What is the InChIKey of acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is IPRFAESBCGVYDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N2.C2H4O2/c1-22(2)19-15-18-21-20-16-13-11-9-7-5-3-4-6-8-10-12-14-17-20;1-2(3)4/h20-21H,3-19H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine?
acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 370.62 g/mol, XLogP of 5.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-cyclopentadecyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 67913130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).