4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine

C13H28N2O2 — CID 106675770

IUPAC4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC1(C)CCCO1
InChIInChI=1S/C13H28N2O2/c1-12(2,16-4)8-11(9-14)15-10-13(3)6-5-7-17-13/h11,15H,5-10,14H2,1-4H3
InChIKeyOFLBCGCTIIMQCG-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.29
Rot. Bonds7

About 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine

4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine (PubChem CID 106675770) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine
PubChem CID106675770
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine
SMILESCOC(C)(C)CC(CN)NCC1(C)CCCO1
InChIInChI=1S/C13H28N2O2/c1-12(2,16-4)8-11(9-14)15-10-13(3)6-5-7-17-13/h11,15H,5-10,14H2,1-4H3
InChIKeyOFLBCGCTIIMQCG-UHFFFAOYSA-N
XLogP1.29
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylcyclohexyl)-N-[(2-methyloxolan-2-yl)methyl]ethane-1,2-diamine
CID 104575457
4-methoxy-4-methyl-2-N-piperidin-1-ylpentane-1,2-diamine
CID 106675790
3,3-dimethyl-1-N-[(2-methyloxolan-2-yl)methyl]butane-1,2-diamine
CID 112556025
2-N-(2-cyclobutylethyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675811
2-N-[2-(dimethylamino)ethyl]-4-methoxy-4-methylpentane-1,2-diamine
CID 106675732
2-N-(3-cyclopropylpropyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675820
(2S)-2-amino-3,3-dimethyl-N-[(2-methyloxolan-2-yl)methyl]butanamide;hydrochloride
CID 119782236
[1-[[(2-methyloxolan-2-yl)methylamino]methyl]cycloheptyl]methanamine
CID 115445038
N-[(2-methyloxolan-2-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 115727592
2-[(2-methyloxolan-2-yl)methylamino]pentanoic acid
CID 83040810
4-methoxy-4-methyl-2-N-phenylpentane-1,2-diamine
CID 106675722
2-[(2-methyloxolan-2-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115688437

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine?
The IUPAC name of 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine (CID 106675770) is 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine.
What is the SMILES notation for 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine?
The canonical SMILES for 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine is COC(C)(C)CC(CN)NCC1(C)CCCO1.
What is the InChIKey of 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine?
The InChIKey is OFLBCGCTIIMQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2,16-4)8-11(9-14)15-10-13(3)6-5-7-17-13/h11,15H,5-10,14H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine?
4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine has a molecular weight of 244.38 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-N-[(2-methyloxolan-2-yl)methyl]pentane-1,2-diamine is sourced from PubChem (CID 106675770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).