N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

C14H32N2O — CID 62557410

IUPACN'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CCNCCCOC(C)C
InChIInChI=1S/C14H32N2O/c1-13(2)7-10-16(5)11-9-15-8-6-12-17-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyUIADWWIFGDXZHO-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds11

About N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine

N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (PubChem CID 62557410) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
PubChem CID62557410
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC NameN'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)CCN(C)CCNCCCOC(C)C
InChIInChI=1S/C14H32N2O/c1-13(2)7-10-16(5)11-9-15-8-6-12-17-14(3)4/h13-15H,6-12H2,1-5H3
InChIKeyUIADWWIFGDXZHO-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
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',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107871434
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
N-hexyl-N'-methyl-N'-(3-methylbutyl)ethane-1,2-diamine
CID 62557407
N-hexyl-N'-methyl-N'-(2-propan-2-yloxyethyl)ethane-1,2-diamine
CID 81068895
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N'-[2-(dimethylamino)ethyl]-N'-methyl-N-(4-methylpentyl)ethane-1,2-diamine
CID 63727214
N-(2-methoxyethyl)-N'-methyl-N'-(2-propan-2-yloxyethyl)propane-1,3-diamine
CID 81055191
N'-methyl-N-(3-propan-2-yloxypropyl)-N'-(thiophen-3-ylmethyl)ethane-1,2-diamine
CID 55090335
N'-(furan-2-ylmethyl)-N'-methyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 55089694
N'-methyl-N'-(oxolan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62555468

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (CID 62557410) is N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is CC(C)CCN(C)CCNCCCOC(C)C.
What is the InChIKey of N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The InChIKey is UIADWWIFGDXZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-13(2)7-10-16(5)11-9-15-8-6-12-17-14(3)4/h13-15H,6-12H2,1-5H3.
What are the key properties of N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 62557410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).