N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine

C10H24N2O — CID 163471999

IUPACN'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine
SMILESCCN(C)CNOC(C)(CC)CC
InChIInChI=1S/C10H24N2O/c1-6-10(4,7-2)13-11-9-12(5)8-3/h11H,6-9H2,1-5H3
InChIKeyBXGVRRDTTZRNCZ-UHFFFAOYSA-N
MW188.31 g/mol
LogP2.00
Rot. Bonds7

About N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine

N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine (PubChem CID 163471999) has the molecular formula C10H24N2O and a molecular weight of 188.31 g/mol. Its IUPAC name is N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine.

Molecular Properties

Compound NameN'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine
PubChem CID163471999
Molecular FormulaC10H24N2O
Molecular Weight188.31 g/mol
Exact Mass188.19
IUPAC NameN'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine
SMILESCCN(C)CNOC(C)(CC)CC
InChIInChI=1S/C10H24N2O/c1-6-10(4,7-2)13-11-9-12(5)8-3/h11H,6-9H2,1-5H3
InChIKeyBXGVRRDTTZRNCZ-UHFFFAOYSA-N
XLogP2.00
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylpentan-3-yloxy)ethenamine
CID 57150519
3-methyl-3-(3-methylpentan-3-ylperoxy)pentane
CID 19875132
N,N,2-trimethyl-2-(3-methylpentan-3-yloxy)butan-1-amine
CID 126621627
1-N-ethyl-1-N,2-N,2-trimethylpropane-1,2-diamine
CID 62848035
2-methoxy-N,N,2-trimethylbutan-1-amine
CID 177005868
N-methyl-N-[[2-(3-methylbutyl)hydrazinyl]methyl]ethanamine
CID 174194599
N,4-diethyl-N,2,4-trimethylhexan-1-amine
CID 123611396
3-butoxy-N-ethyl-2,2-difluoro-N-methylpropan-1-amine
CID 170216374
N,N,2-trimethyl-2-silyloxybutan-1-amine
CID 123527794
1-N,3-N-diethyl-1-N,2,2-trimethylbutane-1,3-diamine
CID 66455349
N-ethyl-N,N',3,3-tetramethylpentane-1,5-diamine;molecular hydrogen
CID 170741691
1-N-ethyl-1-N,2-dimethylpropane-1,2-diamine
CID 61265281

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine?
The IUPAC name of N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine (CID 163471999) is N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine.
What is the SMILES notation for N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine?
The canonical SMILES for N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine is CCN(C)CNOC(C)(CC)CC.
What is the InChIKey of N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine?
The InChIKey is BXGVRRDTTZRNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O/c1-6-10(4,7-2)13-11-9-12(5)8-3/h11H,6-9H2,1-5H3.
What are the key properties of N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine?
N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine has a molecular weight of 188.31 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-methyl-N-(3-methylpentan-3-yloxy)methanediamine is sourced from PubChem (CID 163471999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).