N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide

C11H25N3O2 — CID 62984269

IUPACN-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide
SMILESCOCCCN(C)CC(=O)N(C)CCCN
InChIInChI=1S/C11H25N3O2/c1-13(7-5-9-16-3)10-11(15)14(2)8-4-6-12/h4-10,12H2,1-3H3
InChIKeyOBDDRMIVNNYVMH-UHFFFAOYSA-N
MW231.34 g/mol
LogP-0.24
Rot. Bonds9

About N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide

N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide (PubChem CID 62984269) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide
PubChem CID62984269
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC NameN-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide
SMILESCOCCCN(C)CC(=O)N(C)CCCN
InChIInChI=1S/C11H25N3O2/c1-13(7-5-9-16-3)10-11(15)14(2)8-4-6-12/h4-10,12H2,1-3H3
InChIKeyOBDDRMIVNNYVMH-UHFFFAOYSA-N
XLogP-0.24
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminopropyl)-2-[2-methoxyethyl(propan-2-yl)amino]-N-methylacetamide
CID 82949330
N-(3-aminopropyl)-2-[cyclopropylmethyl(methyl)amino]-N-methylacetamide
CID 60985762
2-[acetyl(3-methoxypropyl)amino]-N-butyl-N-methylacetamide
CID 113160069
3-[3-aminopropyl(methyl)amino]propyl carbamate
CID 155026882
N-(3-aminopropyl)-2-[(3-methoxyphenyl)methyl-methylamino]-N-methylacetamide
CID 61420595
2-amino-N-(3-methoxypropyl)-N-methylpropanamide
CID 63010028
2-[4-aminobutyl(methyl)amino]-N,N-diethylacetamide
CID 61453098
2-[2-[3-methoxypropyl(methyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569893
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
propan-2-yl 2-[3-aminopropyl(methyl)amino]acetate
CID 115319244
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
2-amino-5-methoxy-N-(3-methoxypropyl)-N-methylpentanamide
CID 81088448

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide?
The IUPAC name of N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide (CID 62984269) is N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide.
What is the SMILES notation for N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide?
The canonical SMILES for N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide is COCCCN(C)CC(=O)N(C)CCCN.
What is the InChIKey of N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide?
The InChIKey is OBDDRMIVNNYVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c1-13(7-5-9-16-3)10-11(15)14(2)8-4-6-12/h4-10,12H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide?
N-(3-aminopropyl)-2-[3-methoxypropyl(methyl)amino]-N-methylacetamide has a molecular weight of 231.34 g/mol, XLogP of -0.24, 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-[3-methoxypropyl(methyl)amino]-N-methylacetamide is sourced from PubChem (CID 62984269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).