N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine

C16H33NO — CID 65164933

IUPACN-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(CC)(CCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C16H33NO/c1-6-16(7-2,13-17-15(3,4)5)11-10-14-9-8-12-18-14/h14,17H,6-13H2,1-5H3
InChIKeyPYSUDFGSYUTAAW-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds7

About N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine

N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 65164933) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID65164933
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC NameN-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine
SMILESCCC(CC)(CCC1CCCO1)CNC(C)(C)C
InChIInChI=1S/C16H33NO/c1-6-16(7-2,13-17-15(3,4)5)11-10-14-9-8-12-18-14/h14,17H,6-13H2,1-5H3
InChIKeyPYSUDFGSYUTAAW-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-ethyl-2-[3-(oxolan-2-yl)propyl]hexan-1-amine
CID 65165541
1-(tert-butylamino)-2-methyl-4-(oxolan-2-yl)butan-2-ol
CID 66037038
N,2-diethyl-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165209
2,2-diethyl-5-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65165708
2-ethyl-N-(2-methoxyethyl)-2-[2-(oxolan-2-yl)ethyl]hexan-1-amine
CID 65165599
2-ethyl-2-[3-(oxolan-2-yl)propyl]propane-1,3-diol
CID 79450832
N,3,3-trimethyl-5-(oxolan-2-yl)pentan-1-amine
CID 81022159
1-(tert-butylamino)-3-methyl-6-(oxolan-2-yl)hexan-3-ol
CID 66001469
N,2-diethyl-2-methyl-5-(oxolan-2-yl)pentan-1-amine
CID 65165208
3-methyl-6-(oxolan-2-yl)hexan-3-amine
CID 65166780
3-cyclopropyl-1-(oxolan-2-yl)pentan-3-ol
CID 65161613
2-ethyl-2-[[3-(oxolan-2-yl)propylamino]methyl]butan-1-ol
CID 104668729

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine (CID 65164933) is N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine is CCC(CC)(CCC1CCCO1)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is PYSUDFGSYUTAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-16(7-2,13-17-15(3,4)5)11-10-14-9-8-12-18-14/h14,17H,6-13H2,1-5H3.
What are the key properties of N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine?
N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,2-diethyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 65164933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).