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

C18H40N2O — CID 107871434

IUPACN',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCNCCCOC(C)C)CCC(C)C
InChIInChI=1S/C18H40N2O/c1-16(2)8-12-20(13-9-17(3)4)14-11-19-10-7-15-21-18(5)6/h16-19H,7-15H2,1-6H3
InChIKeyQTHZYPPIGZYWNF-UHFFFAOYSA-N
MW300.53 g/mol
LogP3.79
Rot. Bonds14

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

N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (PubChem CID 107871434) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
PubChem CID107871434
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC NameN',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
SMILESCC(C)CCN(CCNCCCOC(C)C)CCC(C)C
InChIInChI=1S/C18H40N2O/c1-16(2)8-12-20(13-9-17(3)4)14-11-19-10-7-15-21-18(5)6/h16-19H,7-15H2,1-6H3
InChIKeyQTHZYPPIGZYWNF-UHFFFAOYSA-N
XLogP3.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 53.79
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'-methyl-N'-(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62557410
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
N'-methyl-N'-propan-2-yl-N-(3-propan-2-yloxypropyl)propane-1,3-diamine
CID 176860876
N-(4-methylpentyl)-N',N'-dipropylethane-1,2-diamine
CID 62574119
N'-ethyl-N-(3-methoxypropyl)-N'-(2-methylpropyl)ethane-1,2-diamine
CID 62575773
N'-methyl-N'-(2-methylsulfonylethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 79859053
N'-ethyl-N'-(furan-2-ylmethyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 62558417
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
N'-tert-butyl-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine
CID 107444739
4-(4-propan-2-yloxybutylamino)butan-2-ol
CID 106009786
N-methyl-N-(3-methylbutyl)-7-propan-2-yloxyheptan-1-amine
CID 171725800
N'-methyl-N-(4-methylpentyl)-N'-propan-2-ylethane-1,2-diamine
CID 59420439

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The IUPAC name of N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine (CID 107871434) is N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine.
What is the SMILES notation for N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The canonical SMILES for N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is CC(C)CCN(CCNCCCOC(C)C)CCC(C)C.
What is the InChIKey of N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
The InChIKey is QTHZYPPIGZYWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-16(2)8-12-20(13-9-17(3)4)14-11-19-10-7-15-21-18(5)6/h16-19H,7-15H2,1-6H3.
What are the key properties of N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine?
N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine has a molecular weight of 300.53 g/mol, XLogP of 3.79, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(3-methylbutyl)-N-(3-propan-2-yloxypropyl)ethane-1,2-diamine is sourced from PubChem (CID 107871434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).