N-[3-(diethylamino)propyl]-3-methylbutanamide

C12H26N2O — CID 4635765

IUPACN-[3-(diethylamino)propyl]-3-methylbutanamide
SMILESCCN(CC)CCCNC(=O)CC(C)C
InChIInChI=1S/C12H26N2O/c1-5-14(6-2)9-7-8-13-12(15)10-11(3)4/h11H,5-10H2,1-4H3,(H,13,15)
InChIKeyRCKILKWWTLGKEX-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.88
Rot. Bonds8

About N-[3-(diethylamino)propyl]-3-methylbutanamide

N-[3-(diethylamino)propyl]-3-methylbutanamide (PubChem CID 4635765) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-3-methylbutanamide
PubChem CID4635765
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-[3-(diethylamino)propyl]-3-methylbutanamide
SMILESCCN(CC)CCCNC(=O)CC(C)C
InChIInChI=1S/C12H26N2O/c1-5-14(6-2)9-7-8-13-12(15)10-11(3)4/h11H,5-10H2,1-4H3,(H,13,15)
InChIKeyRCKILKWWTLGKEX-UHFFFAOYSA-N
XLogP1.88
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-[3-(diethylamino)propyl]-3-methylbutanamide?
The IUPAC name of N-[3-(diethylamino)propyl]-3-methylbutanamide (CID 4635765) is N-[3-(diethylamino)propyl]-3-methylbutanamide.
What is the SMILES notation for N-[3-(diethylamino)propyl]-3-methylbutanamide?
The canonical SMILES for N-[3-(diethylamino)propyl]-3-methylbutanamide is CCN(CC)CCCNC(=O)CC(C)C.
What is the InChIKey of N-[3-(diethylamino)propyl]-3-methylbutanamide?
The InChIKey is RCKILKWWTLGKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-5-14(6-2)9-7-8-13-12(15)10-11(3)4/h11H,5-10H2,1-4H3,(H,13,15).
What are the key properties of N-[3-(diethylamino)propyl]-3-methylbutanamide?
N-[3-(diethylamino)propyl]-3-methylbutanamide has a molecular weight of 214.35 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-3-methylbutanamide is sourced from PubChem (CID 4635765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).