1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine

C14H32N2O — CID 43147195

IUPAC1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H32N2O/c1-11(2)13(16(6)7)10-15-12(3)9-14(4,5)17-8/h11-13,15H,9-10H2,1-8H3
InChIKeyFGRCHXVECOJARD-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.37
Rot. Bonds8

About 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 43147195) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID43147195
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCC(C(C)C)N(C)C
InChIInChI=1S/C14H32N2O/c1-11(2)13(16(6)7)10-15-12(3)9-14(4,5)17-8/h11-13,15H,9-10H2,1-8H3
InChIKeyFGRCHXVECOJARD-UHFFFAOYSA-N
XLogP2.37
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine with MolForge

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Related Compounds

1-[(2S)-4-(2-methylpentoxy)pentan-2-yl]piperazine
CID 70966971
(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-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
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
1-(4-Methoxy-2,4-dimethylpentan-2-yl)piperazine
CID 146180745
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N'-dimethylethane-1,2-diamine
CID 146180747
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 156227913
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

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 43147195) is 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine is COC(C)(C)CC(C)NCC(C(C)C)N(C)C.
What is the InChIKey of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is FGRCHXVECOJARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-11(2)13(16(6)7)10-15-12(3)9-14(4,5)17-8/h11-13,15H,9-10H2,1-8H3.
What are the key properties of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 244.42 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 43147195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).