N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

C11H24N2O — CID 82740088

IUPACN-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)C1CCOC1
InChIInChI=1S/C11H24N2O/c1-4-10(2)12-6-7-13(3)11-5-8-14-9-11/h10-12H,4-9H2,1-3H3
InChIKeyAKAYSTSSPAINLY-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds6

About N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine

N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (PubChem CID 82740088) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
PubChem CID82740088
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)C1CCOC1
InChIInChI=1S/C11H24N2O/c1-4-10(2)12-6-7-13(3)11-5-8-14-9-11/h10-12H,4-9H2,1-3H3
InChIKeyAKAYSTSSPAINLY-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
N-butan-2-yl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 60853944
N'-methyl-N'-(oxolan-3-yl)-N-propan-2-ylpentane-1,5-diamine
CID 82754082
N'-methyl-N-(4-methylpentyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754643
N-(cyclopropylmethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82739830
N-butyl-N-methyloxolan-3-amine
CID 154189060
N'-methyl-N'-(oxolan-3-yl)-N-prop-2-enylethane-1,2-diamine
CID 82739917
N-(2-ethoxyethyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754461
N'-methyl-N-(4-methylcyclohexyl)-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754007
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962
N-(3-ethoxypropyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82754548
(2S)-1-[methyl(oxolan-3-yl)amino]propan-2-ol
CID 103935293

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine (CID 82740088) is N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is CCC(C)NCCN(C)C1CCOC1.
What is the InChIKey of N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
The InChIKey is AKAYSTSSPAINLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-4-10(2)12-6-7-13(3)11-5-8-14-9-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine?
N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 82740088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).