N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide

C12H27N3O2 — CID 82949330

IUPACN-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
SMILESCOCCN(CC(=O)N(C)CCCN)C(C)C
InChIInChI=1S/C12H27N3O2/c1-11(2)15(8-9-17-4)10-12(16)14(3)7-5-6-13/h11H,5-10,13H2,1-4H3
InChIKeyYRKIHJHGHWSRDI-UHFFFAOYSA-N
MW245.37 g/mol
LogP0.15
Rot. Bonds9

About N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide

N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide (PubChem CID 82949330) has the molecular formula C12H27N3O2 and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
PubChem CID82949330
Molecular FormulaC12H27N3O2
Molecular Weight245.37 g/mol
Exact Mass245.21
IUPAC NameN-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
SMILESCOCCN(CC(=O)N(C)CCCN)C(C)C
InChIInChI=1S/C12H27N3O2/c1-11(2)15(8-9-17-4)10-12(16)14(3)7-5-6-13/h11H,5-10,13H2,1-4H3
InChIKeyYRKIHJHGHWSRDI-UHFFFAOYSA-N
XLogP0.15
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-methyl-2-[propan-2-yl(propyl)amino]acetamide
CID 43269272
N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide
CID 62984269
N'-(2-methoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43137377
3-[(2-amino-2-oxoethyl)-propan-2-ylamino]-N-(3-aminopropyl)-N-methylpropanamide
CID 54988932
2-[3-aminopropyl(propan-2-yl)amino]-N-(2-methoxyethyl)acetamide
CID 61487571
N-(3-aminopropyl)-N-methyl-2-[2-methylpropyl(pentan-3-yl)amino]acetamide
CID 79483679
1-[3-aminopropyl(propan-2-yl)amino]propan-2-one
CID 89029623
N'-[3-(2-methoxyethoxy)propyl]-N'-propan-2-ylpropane-1,3-diamine
CID 103409174
N-(3-aminopropyl)-N-methyl-3-propan-2-yloxypropanamide
CID 43254246
N-(3-aminopropyl)-2-[bis(3-methylbutyl)amino]-N-methylacetamide
CID 107869399
N'-(2-ethoxyethyl)-N'-propan-2-ylpropane-1,3-diamine
CID 43457099
2-[3-aminopropyl(2-methoxyethyl)amino]-N-(2-methylpropyl)propanamide
CID 55171324

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide (CID 82949330) is N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide is COCCN(CC(=O)N(C)CCCN)C(C)C.
What is the InChIKey of N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide?
The InChIKey is YRKIHJHGHWSRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O2/c1-11(2)15(8-9-17-4)10-12(16)14(3)7-5-6-13/h11H,5-10,13H2,1-4H3.
What are the key properties of N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide?
N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide has a molecular weight of 245.37 g/mol, XLogP of 0.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide is sourced from PubChem (CID 82949330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).