N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol

C13H32N2O2 — CID 165116641

IUPACN,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol
SMILESCNCC(C)(C)OCCC(C)C.CNCCO
InChIInChI=1S/C10H23NO.C3H9NO/c1-9(2)6-7-12-10(3,4)8-11-5;1-4-2-3-5/h9,11H,6-8H2,1-5H3;4-5H,2-3H2,1H3
InChIKeyQRSOXIZUCCNUBN-UHFFFAOYSA-N
MW248.41 g/mol
LogP1.25
Rot. Bonds8

About N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol

N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol (PubChem CID 165116641) has the molecular formula C13H32N2O2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol.

Molecular Properties

Compound NameN,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol
PubChem CID165116641
Molecular FormulaC13H32N2O2
Molecular Weight248.41 g/mol
Exact Mass248.25
IUPAC NameN,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol
SMILESCNCC(C)(C)OCCC(C)C.CNCCO
InChIInChI=1S/C10H23NO.C3H9NO/c1-9(2)6-7-12-10(3,4)8-11-5;1-4-2-3-5/h9,11H,6-8H2,1-5H3;4-5H,2-3H2,1H3
InChIKeyQRSOXIZUCCNUBN-UHFFFAOYSA-N
XLogP1.25
TPSA53.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,6-dimethylheptan-2-yloxy)-2-methylbutan-2-yl]oxy-N-methylethanamine
CID 156868941
N,3-dimethylbutan-1-amine;ethane;3-methoxy-3-methylbutan-1-ol
CID 176553145
N-[2-methyl-2-(3-methylbutoxy)propyl]-3-[[3-[[2-methyl-2-(3-methylbutoxy)propyl]amino]-3-oxopropyl]disulfanyl]propanamide
CID 146510269
N-[3-methyl-3-(3-methylbutoxy)butyl]propanamide
CID 147929425
methanamine;N-[3-methyl-3-(3-methylbutoxy)butyl]acetamide
CID 156868708
2,2,5-trimethyl-5-(3-methylbutoxy)hexane
CID 123343377
2-methyl-2,5-bis(3-methylbutoxy)hexane
CID 90290201
N-[2-(2-hydroxyethyldisulfanyl)ethyl]-3-methyl-3-(3-methylbutoxy)butanamide;methanol
CID 178164257
2-methyl-N-[2-methyl-4-[2-methyl-1-(methylamino)propan-2-yl]oxybutan-2-yl]propanamide
CID 177202356
2-(methylamino)ethanol;platinum
CID 174353574
methane;2-(methylamino)ethanol
CID 158004537
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol?
The IUPAC name of N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol (CID 165116641) is N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol.
What is the SMILES notation for N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol?
The canonical SMILES for N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol is CNCC(C)(C)OCCC(C)C.CNCCO.
What is the InChIKey of N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol?
The InChIKey is QRSOXIZUCCNUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO.C3H9NO/c1-9(2)6-7-12-10(3,4)8-11-5;1-4-2-3-5/h9,11H,6-8H2,1-5H3;4-5H,2-3H2,1H3.
What are the key properties of N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol?
N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol has a molecular weight of 248.41 g/mol, XLogP of 1.25, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-(3-methylbutoxy)propan-1-amine;2-(methylamino)ethanol is sourced from PubChem (CID 165116641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).