N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide

C13H29N3O — CID 62641224

IUPACN-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
SMILESCC(NCCN(C)C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)16(7)9-8-14-11(3)12(17)15-13(4,5)6/h10-11,14H,8-9H2,1-7H3,(H,15,17)
InChIKeyILPAZHJVOXEZAU-UHFFFAOYSA-N
MW243.39 g/mol
LogP1.22
Rot. Bonds6

About N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide

N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide (PubChem CID 62641224) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
PubChem CID62641224
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC NameN-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
SMILESCC(NCCN(C)C(C)C)C(=O)NC(C)(C)C
InChIInChI=1S/C13H29N3O/c1-10(2)16(7)9-8-14-11(3)12(17)15-13(4,5)6/h10-11,14H,8-9H2,1-7H3,(H,15,17)
InChIKeyILPAZHJVOXEZAU-UHFFFAOYSA-N
XLogP1.22
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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

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Related Compounds

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N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N-carbamoyl-2-[3-[methyl(propan-2-yl)amino]propylamino]propanamide
CID 106045951
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
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(2R)-2-amino-3,3-dimethyl-N-[2-[methyl(propan-2-yl)amino]ethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide?
The IUPAC name of N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide (CID 62641224) is N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide.
What is the SMILES notation for N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide?
The canonical SMILES for N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide is CC(NCCN(C)C(C)C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide?
The InChIKey is ILPAZHJVOXEZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-10(2)16(7)9-8-14-11(3)12(17)15-13(4,5)6/h10-11,14H,8-9H2,1-7H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide?
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide has a molecular weight of 243.39 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide is sourced from PubChem (CID 62641224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).