4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide

C14H31N3O — CID 54871197

IUPAC4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CCCN
InChIInChI=1S/C14H31N3O/c1-5-16(6-2)10-11-17(12-13(3)4)14(18)8-7-9-15/h13H,5-12,15H2,1-4H3
InChIKeyTXZWQBINXKKGME-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.55
Rot. Bonds10

About 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide

4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide (PubChem CID 54871197) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
PubChem CID54871197
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide
SMILESCCN(CC)CCN(CC(C)C)C(=O)CCCN
InChIInChI=1S/C14H31N3O/c1-5-16(6-2)10-11-17(12-13(3)4)14(18)8-7-9-15/h13H,5-12,15H2,1-4H3
InChIKeyTXZWQBINXKKGME-UHFFFAOYSA-N
XLogP1.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-4-(propan-2-ylamino)butanamide
CID 60946981
5-amino-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)pentanamide
CID 104684451
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-3-(propan-2-ylamino)propanamide
CID 60946665
3-amino-N-[2-(diethylamino)ethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 62669456
7-amino-N-[3-(diethylamino)propyl]-N-ethylheptanamide
CID 102993033
4-amino-N-methyl-N-(2-methylpropyl)butanamide
CID 43272157
3-amino-N,N-bis(2-methylpropyl)propanamide;hydrochloride
CID 119261436
4-amino-N,N-dipropylbutanamide
CID 12835718
N-[2-(diethylamino)ethyl]-N-[3-hydroxy-2-(hydroxymethyl)propyl]nonanamide
CID 170657119
4-amino-N-butan-2-yl-N-ethylbutanamide
CID 43274608
3-[2-methylpropyl(pentanoyl)amino]propanoic acid
CID 82323488
5-amino-N-ethyl-N-(2-methylbutyl)pentanamide
CID 79470392

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide?
The IUPAC name of 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide (CID 54871197) is 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide.
What is the SMILES notation for 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide?
The canonical SMILES for 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide is CCN(CC)CCN(CC(C)C)C(=O)CCCN.
What is the InChIKey of 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide?
The InChIKey is TXZWQBINXKKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-16(6-2)10-11-17(12-13(3)4)14(18)8-7-9-15/h13H,5-12,15H2,1-4H3.
What are the key properties of 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide?
4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide has a molecular weight of 257.42 g/mol, XLogP of 1.55, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)butanamide is sourced from PubChem (CID 54871197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).