N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide

C13H29N3O — CID 60849509

IUPACN-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCCN(CC)CCNC(=O)CCCNC(C)C
InChIInChI=1S/C13H29N3O/c1-5-16(6-2)11-10-15-13(17)8-7-9-14-12(3)4/h12,14H,5-11H2,1-4H3,(H,15,17)
InChIKeyDVVAYGHZYJNKCX-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.22
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide

N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide (PubChem CID 60849509) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
PubChem CID60849509
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide
SMILESCCN(CC)CCNC(=O)CCCNC(C)C
InChIInChI=1S/C13H29N3O/c1-5-16(6-2)11-10-15-13(17)8-7-9-14-12(3)4/h12,14H,5-11H2,1-4H3,(H,15,17)
InChIKeyDVVAYGHZYJNKCX-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(diethylamino)ethyl]-2-(propan-2-ylamino)acetamide
CID 60843052
N-butyl-4-(propan-2-ylamino)butanamide
CID 60851986
N-[2-(diethylamino)ethyl]-16-methylheptadecanamide
CID 87505331
4-chloro-N-[2-(diethylamino)ethyl]butanamide
CID 16784552
bis[4-[2-(diethylamino)ethylamino]-4-oxobutyl] oxalate
CID 57320771
N-(2-ethoxyethyl)-4-(propan-2-ylamino)butanamide
CID 60850792
N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60850925
N-(2-oxobutyl)-4-(propan-2-ylamino)butanamide
CID 126587174
4-(propan-2-ylamino)-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 60850954
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60946981
N-[2-(N-methylanilino)ethyl]-4-(propan-2-ylamino)butanamide
CID 61259926
molecular hydrogen;N-pentyl-5-(propan-2-ylamino)pentanamide
CID 166554721

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide (CID 60849509) is N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide is CCN(CC)CCNC(=O)CCCNC(C)C.
What is the InChIKey of N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is DVVAYGHZYJNKCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-5-16(6-2)11-10-15-13(17)8-7-9-14-12(3)4/h12,14H,5-11H2,1-4H3,(H,15,17).
What are the key properties of N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide?
N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 243.39 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 60849509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).