(7-amino-4-iminoheptyl) nonanoate

C16H32N2O2 — CID 174560293

IUPAC(7-amino-4-iminoheptyl) nonanoate
SMILES[H]/N=C(\CCCN)CCCOC(=O)CCCCCCCC
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-12-16(19)20-14-9-11-15(18)10-8-13-17/h18H,2-14,17H2,1H3/b18-15+
InChIKeyDRSUZKXVFHJATC-OBGWFSINSA-N
MW284.44 g/mol
LogP3.82
Rot. Bonds14

About (7-amino-4-iminoheptyl) nonanoate

(7-amino-4-iminoheptyl) nonanoate (PubChem CID 174560293) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is (7-amino-4-iminoheptyl) nonanoate.

Molecular Properties

Compound Name(7-amino-4-iminoheptyl) nonanoate
PubChem CID174560293
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name(7-amino-4-iminoheptyl) nonanoate
SMILES[H]/N=C(\CCCN)CCCOC(=O)CCCCCCCC
InChIInChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-12-16(19)20-14-9-11-15(18)10-8-13-17/h18H,2-14,17H2,1H3/b18-15+
InChIKeyDRSUZKXVFHJATC-OBGWFSINSA-N
XLogP3.82
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.82
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'}

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Frequently Asked Questions

What is the IUPAC name of (7-amino-4-iminoheptyl) nonanoate?
The IUPAC name of (7-amino-4-iminoheptyl) nonanoate (CID 174560293) is (7-amino-4-iminoheptyl) nonanoate.
What is the SMILES notation for (7-amino-4-iminoheptyl) nonanoate?
The canonical SMILES for (7-amino-4-iminoheptyl) nonanoate is [H]/N=C(\CCCN)CCCOC(=O)CCCCCCCC.
What is the InChIKey of (7-amino-4-iminoheptyl) nonanoate?
The InChIKey is DRSUZKXVFHJATC-OBGWFSINSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-2-3-4-5-6-7-12-16(19)20-14-9-11-15(18)10-8-13-17/h18H,2-14,17H2,1H3/b18-15+.
What are the key properties of (7-amino-4-iminoheptyl) nonanoate?
(7-amino-4-iminoheptyl) nonanoate has a molecular weight of 284.44 g/mol, XLogP of 3.82, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-4-iminoheptyl) nonanoate is sourced from PubChem (CID 174560293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).