N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine

C13H30N2O — CID 112588610

IUPACN,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCCOC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-12(2,3)16-9-8-14-10-13(4,5)11-15(6)7/h14H,8-11H2,1-7H3
InChIKeyUDBSUHOFVMVHTG-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.98
Rot. Bonds7

About N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine

N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine (PubChem CID 112588610) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
PubChem CID112588610
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC NameN,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
SMILESCN(C)CC(C)(C)CNCCOC(C)(C)C
InChIInChI=1S/C13H30N2O/c1-12(2,3)16-9-8-14-10-13(4,5)11-15(6)7/h14H,8-11H2,1-7H3
InChIKeyUDBSUHOFVMVHTG-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(dimethylamino)ethyl]-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28572535
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 65176530
N'-hexyl-N,N,2,2-tetramethylpropane-1,3-diamine
CID 28879474
N,N,2,2-tetramethyl-N'-(3-phenoxypropyl)propane-1,3-diamine
CID 60688858
4-methoxy-N-(2-methoxyethyl)-2,2-dimethylbutan-1-amine
CID 62724351
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
1-(dimethylamino)-3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropan-2-ol
CID 106147594
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea
CID 115570241
N,N-dimethyl-1-[[2-[(2-methylpropan-2-yl)oxy]ethylamino]methyl]cyclobutan-1-amine
CID 105416787
N',N'-diethyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 62599740
3-chloro-2,2-dimethyl-N-[2-(trifluoromethoxy)ethyl]propan-1-amine
CID 115363591

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine (CID 112588610) is N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine is CN(C)CC(C)(C)CNCCOC(C)(C)C.
What is the InChIKey of N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine?
The InChIKey is UDBSUHOFVMVHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-12(2,3)16-9-8-14-10-13(4,5)11-15(6)7/h14H,8-11H2,1-7H3.
What are the key properties of N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine has a molecular weight of 230.40 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine is sourced from PubChem (CID 112588610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).