(7-amino-4-iminoheptyl) dodecanoate

C19H38N2O2 — CID 174560268

IUPAC(7-amino-4-iminoheptyl) dodecanoate
SMILES[H]/N=C(\CCCN)CCCOC(=O)CCCCCCCCCCC
InChIInChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-15-19(22)23-17-12-14-18(21)13-11-16-20/h21H,2-17,20H2,1H3/b21-18+
InChIKeyVVPBEOYEWKCWEI-DYTRJAOYSA-N
MW326.53 g/mol
LogP4.99
Rot. Bonds17

About (7-amino-4-iminoheptyl) dodecanoate

(7-amino-4-iminoheptyl) dodecanoate (PubChem CID 174560268) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is (7-amino-4-iminoheptyl) dodecanoate.

Molecular Properties

Compound Name(7-amino-4-iminoheptyl) dodecanoate
PubChem CID174560268
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name(7-amino-4-iminoheptyl) dodecanoate
SMILES[H]/N=C(\CCCN)CCCOC(=O)CCCCCCCCCCC
InChIInChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-15-19(22)23-17-12-14-18(21)13-11-16-20/h21H,2-17,20H2,1H3/b21-18+
InChIKeyVVPBEOYEWKCWEI-DYTRJAOYSA-N
XLogP4.99
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (7-amino-4-iminoheptyl) dodecanoate 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 (7-amino-4-iminoheptyl) dodecanoate?
The IUPAC name of (7-amino-4-iminoheptyl) dodecanoate (CID 174560268) is (7-amino-4-iminoheptyl) dodecanoate.
What is the SMILES notation for (7-amino-4-iminoheptyl) dodecanoate?
The canonical SMILES for (7-amino-4-iminoheptyl) dodecanoate is [H]/N=C(\CCCN)CCCOC(=O)CCCCCCCCCCC.
What is the InChIKey of (7-amino-4-iminoheptyl) dodecanoate?
The InChIKey is VVPBEOYEWKCWEI-DYTRJAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-2-3-4-5-6-7-8-9-10-15-19(22)23-17-12-14-18(21)13-11-16-20/h21H,2-17,20H2,1H3/b21-18+.
What are the key properties of (7-amino-4-iminoheptyl) dodecanoate?
(7-amino-4-iminoheptyl) dodecanoate has a molecular weight of 326.53 g/mol, XLogP of 4.99, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4-iminoheptyl) dodecanoate is sourced from PubChem (CID 174560268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).