2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide

C13H29N3O2 — CID 62010198

IUPAC2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCC(CC)(CN)N(C)CC(=O)NC(C)COC
InChIInChI=1S/C13H29N3O2/c1-6-13(7-2,10-14)16(4)8-12(17)15-11(3)9-18-5/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyBGRYEWFCSUGOJD-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.59
Rot. Bonds9

About 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide

2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 62010198) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
PubChem CID62010198
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide
SMILESCCC(CC)(CN)N(C)CC(=O)NC(C)COC
InChIInChI=1S/C13H29N3O2/c1-6-13(7-2,10-14)16(4)8-12(17)15-11(3)9-18-5/h11H,6-10,14H2,1-5H3,(H,15,17)
InChIKeyBGRYEWFCSUGOJD-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

2-[(1-amino-2-methylpropan-2-yl)-propylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 62007770
2-[(2-amino-3-methoxypropyl)-methylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 63760493
2-[2-aminoethyl(pentan-3-yl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 63764416
2-[2-hydroxyethyl(methyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 60683894
2-[3-(aminomethyl)pentan-3-yl-ethylamino]-N-pentan-2-ylacetamide
CID 62009596
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672
2-[ethyl-[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
CID 62820250
2-[(3-amino-3-sulfanylidenepropyl)-propan-2-ylamino]-N-(1-methoxypropan-2-yl)acetamide
CID 54998249
2-[4-(aminomethyl)-N-ethylanilino]-N-(1-methoxypropan-2-yl)acetamide
CID 61488230
2-[ethyl(3-hydroxypropyl)amino]-N-(1-methoxypropan-2-yl)acetamide
CID 115666206
2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610
7-amino-N-(1-methoxypropan-2-yl)heptanamide
CID 24700699

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide (CID 62010198) is 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide is CCC(CC)(CN)N(C)CC(=O)NC(C)COC.
What is the InChIKey of 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is BGRYEWFCSUGOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-6-13(7-2,10-14)16(4)8-12(17)15-11(3)9-18-5/h11H,6-10,14H2,1-5H3,(H,15,17).
What are the key properties of 2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide?
2-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide 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-[3-(aminomethyl)pentan-3-yl-methylamino]-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 62010198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).