2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide

C13H29N3O2 — CID 63759181

IUPAC2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)CC(N)COC
InChIInChI=1S/C13H29N3O2/c1-6-7-10(2)15-13(17)11(3)16(4)8-12(14)9-18-5/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyIHUCRQQTQJAFEP-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.59
Rot. Bonds9

About 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide

2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide (PubChem CID 63759181) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
PubChem CID63759181
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)N(C)CC(N)COC
InChIInChI=1S/C13H29N3O2/c1-6-7-10(2)15-13(17)11(3)16(4)8-12(14)9-18-5/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyIHUCRQQTQJAFEP-UHFFFAOYSA-N
XLogP0.59
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[methyl(2-methylpropyl)amino]-N-[(2S)-pentan-2-yl]propanamide
CID 95236092
2-[(2-amino-3-methoxypropyl)-methylamino]-N-tert-butylpropanamide
CID 63761507
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 55242786
2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
1-N-butan-2-yl-3-methoxy-1-N-methylpropane-1,2-diamine
CID 63761505
2-[(1-amino-2-methylpropan-2-yl)-methylamino]-N-pentan-2-ylpropanamide
CID 115596141
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-N-pentan-2-ylacetamide
CID 62014011
2-amino-N-[1-(dimethylamino)propan-2-yl]-4-methoxybutanamide
CID 82945682
(2S)-2-amino-3-methyl-N-pentan-2-ylbutanamide
CID 61148058
N-(2-amino-3-methoxypropyl)-N,2-dimethylpropanamide
CID 63754189
2-[(3-amino-4-methylpentyl)-methylamino]-N-butan-2-ylpropanamide
CID 81491323

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide?
The IUPAC name of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide (CID 63759181) is 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)N(C)CC(N)COC.
What is the InChIKey of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide?
The InChIKey is IHUCRQQTQJAFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-6-7-10(2)15-13(17)11(3)16(4)8-12(14)9-18-5/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide?
2-[(2-amino-3-methoxypropyl)-methylamino]-N-pentan-2-ylpropanamide has a molecular weight of 259.39 g/mol, XLogP of 0.59, 9 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-pentan-2-ylpropanamide is sourced from PubChem (CID 63759181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).