N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

C11H26N2O — CID 62555171

IUPACN-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCCCNCCN(C)C(C)COC
InChIInChI=1S/C11H26N2O/c1-5-6-7-12-8-9-13(3)11(2)10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyCQYWYTPBCXSTMP-UHFFFAOYSA-N
MW202.34 g/mol
LogP1.34
Rot. Bonds9

About N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine

N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (PubChem CID 62555171) has the molecular formula C11H26N2O and a molecular weight of 202.34 g/mol. Its IUPAC name is N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
PubChem CID62555171
Molecular FormulaC11H26N2O
Molecular Weight202.34 g/mol
Exact Mass202.20
IUPAC NameN-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
SMILESCCCCNCCN(C)C(C)COC
InChIInChI=1S/C11H26N2O/c1-5-6-7-12-8-9-13(3)11(2)10-14-4/h11-12H,5-10H2,1-4H3
InChIKeyCQYWYTPBCXSTMP-UHFFFAOYSA-N
XLogP1.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[1-methoxypropan-2-yl(methyl)amino]ethyl]-N',N'-dimethylpropane-1,3-diamine
CID 62554848
N-(2-methoxyethyl)-N'-(1-methoxypropan-2-yl)-N'-methylbutane-1,4-diamine
CID 62568763
N-dodecyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 63492456
N-hexyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62573357
N'-butan-2-yl-N-hexyl-N'-methylethane-1,2-diamine
CID 62561098
2-N-butyl-1-N-(3-methoxypropyl)-2-N-methylpropane-1,2-diamine
CID 62558502
N-(2-methoxyethyl)-N'-methyl-N'-pentan-2-ylbutane-1,4-diamine
CID 62570404
N-[3-(2-methoxyethoxy)propyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 103409489
N'-(1-methoxypropan-2-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62554689
N-butyl-N',N'-dimethylethane-1,2-diamine
CID 16781457
N'-ethyl-N'-(1-methoxypropan-2-yl)-N-propylbutane-1,4-diamine
CID 62426328
N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine
CID 61453398

Frequently Asked Questions

What is the IUPAC name of N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine (CID 62555171) is N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is CCCCNCCN(C)C(C)COC.
What is the InChIKey of N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
The InChIKey is CQYWYTPBCXSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N2O/c1-5-6-7-12-8-9-13(3)11(2)10-14-4/h11-12H,5-10H2,1-4H3.
What are the key properties of N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine?
N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine has a molecular weight of 202.34 g/mol, XLogP of 1.34, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N'-(1-methoxypropan-2-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 62555171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).