2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine

C13H27NO — CID 115722687

IUPAC2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
SMILESCC(CC1CCCO1)NCC(C)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)11(3)9-14-12(4)8-13-6-5-7-15-13/h10-14H,5-9H2,1-4H3
InChIKeyLLWZUTWHZGTELL-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.83
Rot. Bonds6

About 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine

2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine (PubChem CID 115722687) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
PubChem CID115722687
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
SMILESCC(CC1CCCO1)NCC(C)C(C)C
InChIInChI=1S/C13H27NO/c1-10(2)11(3)9-14-12(4)8-13-6-5-7-15-13/h10-14H,5-9H2,1-4H3
InChIKeyLLWZUTWHZGTELL-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(oxolan-2-yl)propan-2-amine
CID 60819551
2-(2,3-dimethylbutyl)oxane
CID 167069415
N-[1-(oxolan-2-yl)propan-2-yl]pentan-1-amine
CID 115705777
N-[(2-methylcyclopropyl)methyl]-1-(oxolan-2-yl)propan-2-amine
CID 115713100
N-(2-ethylsulfonylethyl)-1-(oxolan-2-yl)propan-2-amine
CID 115716501
3-methyl-N-(oxolan-2-ylmethyl)butan-2-amine
CID 43179200
N-benzyl-1-(oxolan-2-yl)propan-2-amine
CID 122156962
1-(oxolan-2-yl)-N-[1-(oxolan-2-yl)ethyl]propan-2-amine
CID 115709344
4-ethoxy-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine
CID 115710165
2,2-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]pentan-3-amine
CID 115717829
1-(oxolan-2-yl)-N-(2-prop-2-enylsulfanylethyl)propan-2-amine
CID 115889004
2-methyl-2-[[1-(oxolan-2-yl)propan-2-ylamino]methyl]butan-1-ol
CID 115895173

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
The IUPAC name of 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine (CID 115722687) is 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine is CC(CC1CCCO1)NCC(C)C(C)C.
What is the InChIKey of 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
The InChIKey is LLWZUTWHZGTELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10(2)11(3)9-14-12(4)8-13-6-5-7-15-13/h10-14H,5-9H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine?
2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[1-(oxolan-2-yl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 115722687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).