N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine

C15H32N2O — CID 103930680

IUPACN'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNC1CCOC(C(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-13(4)17(5)9-8-16-14-7-10-18-15(11-14)12(2)3/h12-16H,6-11H2,1-5H3
InChIKeySJMSFSANJASWAS-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds7

About N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine

N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine (PubChem CID 103930680) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
PubChem CID103930680
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
SMILESCCC(C)N(C)CCNC1CCOC(C(C)C)C1
InChIInChI=1S/C15H32N2O/c1-6-13(4)17(5)9-8-16-14-7-10-18-15(11-14)12(2)3/h12-16H,6-11H2,1-5H3
InChIKeySJMSFSANJASWAS-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
CID 107302829
N'-butan-2-yl-N-(3-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 103698983
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-propan-2-yloxan-4-amine
CID 103931537
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476
N'-butan-2-yl-N'-methyl-N-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115605972
3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105820
2-[(2-propan-2-yloxan-4-yl)amino]ethyl carbamate
CID 83209461
N-propan-2-yl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 112559573
N'-butan-2-yl-N'-methyl-N-(4-propylcyclohexyl)ethane-1,2-diamine
CID 113230405
N-[(2R,6R)-2,6-di(propan-2-yl)oxan-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 125430986
(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol
CID 104980788
N-tert-butyl-3-[(2-propan-2-yloxan-4-yl)amino]propanamide
CID 115914511

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine (CID 103930680) is N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine is CCC(C)N(C)CCNC1CCOC(C(C)C)C1.
What is the InChIKey of N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine?
The InChIKey is SJMSFSANJASWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-13(4)17(5)9-8-16-14-7-10-18-15(11-14)12(2)3/h12-16H,6-11H2,1-5H3.
What are the key properties of N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine?
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 7 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-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 103930680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).