4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide

C13H30N4O — CID 63053033

IUPAC4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
SMILESCNC(CCN(CCN(C)C)CC(C)C)C(N)=O
InChIInChI=1S/C13H30N4O/c1-11(2)10-17(9-8-16(4)5)7-6-12(15-3)13(14)18/h11-12,15H,6-10H2,1-5H3,(H2,14,18)
InChIKeyDKFHGWJTNAAOCW-UHFFFAOYSA-N
MW258.41 g/mol
LogP-0.03
Rot. Bonds10

About 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide (PubChem CID 63053033) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
PubChem CID63053033
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide
SMILESCNC(CCN(CCN(C)C)CC(C)C)C(N)=O
InChIInChI=1S/C13H30N4O/c1-11(2)10-17(9-8-16(4)5)7-6-12(15-3)13(14)18/h11-12,15H,6-10H2,1-5H3,(H2,14,18)
InChIKeyDKFHGWJTNAAOCW-UHFFFAOYSA-N
XLogP-0.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanoic acid
CID 55143158
4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanamide
CID 63028616
4-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)butanamide
CID 103190946
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
3-[2-(dimethylamino)ethyl-(3-methylbutyl)amino]propanoic acid
CID 82330254
2,5-bis(methylamino)hexanediamide
CID 66221520
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]propanehydrazide
CID 63585784
4-(dimethylamino)-2-methylbutanamide;hydrochloride
CID 143130107
2-(cyclopropylamino)-4-[ethyl(2-methylpropyl)amino]butanamide
CID 55143527
2-(cyclopropylamino)-4-[2-methoxyethyl(2-methylpropyl)amino]butanamide
CID 63055154
2-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-N'-hydroxyethanimidamide
CID 76912572
(2R)-4-methyl-2-(methylamino)pentanamide
CID 89050865

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide?
The IUPAC name of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide (CID 63053033) is 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide.
What is the SMILES notation for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide?
The canonical SMILES for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide is CNC(CCN(CCN(C)C)CC(C)C)C(N)=O.
What is the InChIKey of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide?
The InChIKey is DKFHGWJTNAAOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-11(2)10-17(9-8-16(4)5)7-6-12(15-3)13(14)18/h11-12,15H,6-10H2,1-5H3,(H2,14,18).
What are the key properties of 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide?
4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide has a molecular weight of 258.41 g/mol, XLogP of -0.03, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-(methylamino)butanamide is sourced from PubChem (CID 63053033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).