2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine

C13H30N2O — CID 115505872

IUPAC2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
SMILESCC(C)C(CN)OCCN(C(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-10(2)13(9-14)16-8-7-15(11(3)4)12(5)6/h10-13H,7-9,14H2,1-6H3
InChIKeyOYNKXADRSHGRSM-UHFFFAOYSA-N
MW230.40 g/mol
LogP2.11
Rot. Bonds8

About 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine

2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine (PubChem CID 115505872) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
PubChem CID115505872
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine
SMILESCC(C)C(CN)OCCN(C(C)C)C(C)C
InChIInChI=1S/C13H30N2O/c1-10(2)13(9-14)16-8-7-15(11(3)4)12(5)6/h10-13H,7-9,14H2,1-6H3
InChIKeyOYNKXADRSHGRSM-UHFFFAOYSA-N
XLogP2.11
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[di(propan-2-yl)amino]ethoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 115505833
3-methyl-2-(3-methylbutoxy)butan-1-amine
CID 62444983
2-ethoxy-3-methylbutan-1-amine
CID 62445436
2-(2-cyclopropylethoxy)-3-methylbutan-1-amine
CID 106205725
2,3-dimethylbutane;N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 87486817
3-methyl-2-prop-2-enoxybutan-1-amine
CID 14954769
(2S)-2-methoxy-3-methylbutan-1-amine
CID 26188668
N-[2-[dihydroxy(dimethyl)-λ5-phosphanyl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 151578187
N-(2-ethoxyethyl)-N-propan-2-ylpropan-2-amine
CID 575118
2-(cyclopropylmethoxy)-3-methylbutan-1-amine
CID 62457455
N-[2-[amino-[2-[di(propan-2-yl)amino]ethoxy]phosphoryl]oxyethyl]-N-propan-2-ylpropan-2-amine
CID 175408582
2-[2-[di(propan-2-yl)amino]ethoxy]-N-methylbutan-1-amine
CID 115505812

Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine (CID 115505872) is 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine is CC(C)C(CN)OCCN(C(C)C)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine?
The InChIKey is OYNKXADRSHGRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-10(2)13(9-14)16-8-7-15(11(3)4)12(5)6/h10-13H,7-9,14H2,1-6H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine?
2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine has a molecular weight of 230.40 g/mol, XLogP of 2.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethoxy]-3-methylbutan-1-amine is sourced from PubChem (CID 115505872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).