2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide

C12H27N3O2 — CID 63761507

IUPAC2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
SMILESCOCC(N)CN(C)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O2/c1-9(11(16)14-12(2,3)4)15(5)7-10(13)8-17-6/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyKOAREWLQCHFALO-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.20
Rot. Bonds6

About 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide

2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide (PubChem CID 63761507) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
PubChem CID63761507
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
SMILESCOCC(N)CN(C)C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H27N3O2/c1-9(11(16)14-12(2,3)4)15(5)7-10(13)8-17-6/h9-10H,7-8,13H2,1-6H3,(H,14,16)
InChIKeyKOAREWLQCHFALO-UHFFFAOYSA-N
XLogP0.20
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 55242786
2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
CID 63759181
methyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60677092
(2S)-2-amino-N-tert-butyl-3-methoxypropanamide
CID 164800240
2-[2-aminoethyl(methyl)amino]-N-tert-butylpropanamide
CID 61348533
ethyl 2-[[1-(tert-butylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 62012945
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493
tert-butyl N-(2-amino-3-methoxypropyl)-N-methylcarbamate
CID 63753489
2-[2-aminoethyl(2-methoxyethyl)amino]-N-tert-butylpropanamide
CID 113468478
2-[2-hydroxypropyl(methyl)amino]-N-(2-methoxyethyl)propanamide
CID 62334710
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide (CID 63761507) is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide is COCC(N)CN(C)C(C)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide?
The InChIKey is KOAREWLQCHFALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-9(11(16)14-12(2,3)4)15(5)7-10(13)8-17-6/h9-10H,7-8,13H2,1-6H3,(H,14,16).
What are the key properties of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide?
2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide has a molecular weight of 245.37 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide is sourced from PubChem (CID 63761507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).