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

C13H30N2O — CID 43147147

IUPAC1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCC(C)(C)N(C)C
InChIInChI=1S/C13H30N2O/c1-11(9-13(4,5)16-8)14-10-12(2,3)15(6)7/h11,14H,9-10H2,1-8H3
InChIKeyRZLPPESYJASGKT-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.12
Rot. Bonds7

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

1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43147147) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43147147
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCOC(C)(C)CC(C)NCC(C)(C)N(C)C
InChIInChI=1S/C13H30N2O/c1-11(9-13(4,5)16-8)14-10-12(2,3)15(6)7/h11,14H,9-10H2,1-8H3
InChIKeyRZLPPESYJASGKT-UHFFFAOYSA-N
XLogP2.12
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2S)-4-methoxy-1-N,4-dimethylpentane-1,2-diamine
CID 88939090
N'-ethyl-N'-[2-methyl-4-[(2-methylpropan-2-yl)oxy]butan-2-yl]ethane-1,2-diamine
CID 90053516
2-Methyl-4-[2-methyl-4-(propan-2-ylamino)butan-2-yl]oxybutan-2-amine
CID 134415787
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 138713270
4-[2,4-Dimethyl-4-(propan-2-ylamino)pentan-2-yl]oxy-2,4-dimethylpentan-2-amine
CID 142989908
N'-(4-methoxy-2,4-dimethylpentan-2-yl)-N,N,N'-trimethylethane-1,2-diamine
CID 146180743
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
4-methoxy-2-methyl-N-propan-2-ylpentan-2-amine
CID 146505981
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 156227900
N'-(2-methyl-4-propan-2-yloxypentan-2-yl)-N-propan-2-ylethane-1,2-diamine
CID 156227913

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43147147) is 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is COC(C)(C)CC(C)NCC(C)(C)N(C)C.
What is the InChIKey of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is RZLPPESYJASGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-11(9-13(4,5)16-8)14-10-12(2,3)15(6)7/h11,14H,9-10H2,1-8H3.
What are the key properties of 1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(4-methoxy-4-methylpentan-2-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 230.40 g/mol, XLogP of 2.12, 7 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,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43147147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).