7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide

C16H35N3O — CID 102993033

IUPAC7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
SMILESCCN(CC)CCCN(CC)C(=O)CCCCCCN
InChIInChI=1S/C16H35N3O/c1-4-18(5-2)14-11-15-19(6-3)16(20)12-9-7-8-10-13-17/h4-15,17H2,1-3H3
InChIKeyNFLOZQLTFREQNT-UHFFFAOYSA-N
MW285.48 g/mol
LogP2.48
Rot. Bonds13

About 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide

7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide (PubChem CID 102993033) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide.

Molecular Properties

Compound Name7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
PubChem CID102993033
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
SMILESCCN(CC)CCCN(CC)C(=O)CCCCCCN
InChIInChI=1S/C16H35N3O/c1-4-18(5-2)14-11-15-19(6-3)16(20)12-9-7-8-10-13-17/h4-15,17H2,1-3H3
InChIKeyNFLOZQLTFREQNT-UHFFFAOYSA-N
XLogP2.48
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide?
The IUPAC name of 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide (CID 102993033) is 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide.
What is the SMILES notation for 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide?
The canonical SMILES for 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide is CCN(CC)CCCN(CC)C(=O)CCCCCCN.
What is the InChIKey of 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide?
The InChIKey is NFLOZQLTFREQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3O/c1-4-18(5-2)14-11-15-19(6-3)16(20)12-9-7-8-10-13-17/h4-15,17H2,1-3H3.
What are the key properties of 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide?
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide has a molecular weight of 285.48 g/mol, XLogP of 2.48, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide is sourced from PubChem (CID 102993033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).