2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

C15H34N2O — CID 43751524

IUPAC2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCOC(C)(C)CC(C)NC(CC(C)C)CN(C)C
InChIInChI=1S/C15H34N2O/c1-12(2)9-14(11-17(6)7)16-13(3)10-15(4,5)18-8/h12-14,16H,9-11H2,1-8H3
InChIKeyGUBDEVTWSXOJMR-UHFFFAOYSA-N
MW258.45 g/mol
LogP2.76
Rot. Bonds9

About 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine

2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (PubChem CID 43751524) has the molecular formula C15H34N2O and a molecular weight of 258.45 g/mol. Its IUPAC name is 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
PubChem CID43751524
Molecular FormulaC15H34N2O
Molecular Weight258.45 g/mol
Exact Mass258.27
IUPAC Name2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine
SMILESCOC(C)(C)CC(C)NC(CC(C)C)CN(C)C
InChIInChI=1S/C15H34N2O/c1-12(2)9-14(11-17(6)7)16-13(3)10-15(4,5)18-8/h12-14,16H,9-11H2,1-8H3
InChIKeyGUBDEVTWSXOJMR-UHFFFAOYSA-N
XLogP2.76
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine with MolForge

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Related Compounds

2-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine
CID 54335401
1-N-[(5,5-dimethyloxolan-3-yl)methyl]propane-1,2-diamine
CID 70275702
(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
4-methyl-4-[2-methyl-3-(propan-2-ylamino)butoxy]-N-propan-2-ylpentan-2-amine
CID 135299905
N'-(4-methoxy-2,2,4-trimethylpentyl)-N-methyl-N'-propylethane-1,2-diamine
CID 144147499
N,N'-bis(4-methylpentan-2-yl)-N'-(2-methyl-4-propan-2-yloxybutan-2-yl)ethane-1,2-diamine;3-methyl-1-propan-2-yloxybutane
CID 145625722
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
2-N-methyl-3-N-[3-methyl-3-(3-methylbutoxy)butyl]butane-1,2,3-triamine
CID 166688891
N'-(2-ethyl-3-methoxy-3-methylbutyl)-N,N'-dimethylethane-1,2-diamine
CID 170266043
N'-(3-methoxy-3-methylhexyl)-N,N'-dimethylethane-1,2-diamine
CID 170267583
N'-[(2R)-4-methoxy-2,4-dimethylpentyl]-N,N'-dimethylethane-1,2-diamine
CID 174136630
(2R)-4-methoxy-4-methyl-N-propan-2-ylpentan-2-amine
CID 29013888

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The IUPAC name of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine (CID 43751524) is 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is COC(C)(C)CC(C)NC(CC(C)C)CN(C)C.
What is the InChIKey of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
The InChIKey is GUBDEVTWSXOJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N2O/c1-12(2)9-14(11-17(6)7)16-13(3)10-15(4,5)18-8/h12-14,16H,9-11H2,1-8H3.
What are the key properties of 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine?
2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine has a molecular weight of 258.45 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-4-methylpentan-2-yl)-1-N,1-N,4-trimethylpentane-1,2-diamine is sourced from PubChem (CID 43751524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).