N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine

C11H24N2O — CID 104855994

IUPACN'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNC[C@@H]1CCCO1
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h10,12-13H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyNSVJZCICSVSJGA-JTQLQIEISA-N
MW200.33 g/mol
LogP1.14
Rot. Bonds5

About N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine

N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine (PubChem CID 104855994) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
PubChem CID104855994
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
SMILESCC(C)(C)NCCNC[C@@H]1CCCO1
InChIInChI=1S/C11H24N2O/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h10,12-13H,4-9H2,1-3H3/t10-/m0/s1
InChIKeyNSVJZCICSVSJGA-JTQLQIEISA-N
XLogP1.14
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-tert-butyl-N-[[(2R)-oxolan-2-yl]methyl]propane-1,3-diamine
CID 104856051
N'-tert-butyl-N-(oxan-2-ylmethyl)propane-1,3-diamine
CID 60694368
2,2-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]propan-1-amine
CID 89411151
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
3-(tert-butylamino)-N-(oxolan-2-ylmethyl)propanamide
CID 60849170
N-tert-butyl-3-(oxolan-2-ylmethylamino)propanamide
CID 109016044
N'-cyclopropyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 104855992
2-cyclohexyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60920753
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
2-methylsulfanyl-N-(oxolan-2-ylmethyl)ethanamine
CID 60683831
N-(oxan-2-ylmethyl)propan-1-amine
CID 13288217
N'-cyclohexyl-N-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806763

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine (CID 104855994) is N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine is CC(C)(C)NCCNC[C@@H]1CCCO1.
What is the InChIKey of N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
The InChIKey is NSVJZCICSVSJGA-JTQLQIEISA-N. The full InChI is InChI=1S/C11H24N2O/c1-11(2,3)13-7-6-12-9-10-5-4-8-14-10/h10,12-13H,4-9H2,1-3H3/t10-/m0/s1.
What are the key properties of N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine?
N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-[[(2S)-oxolan-2-yl]methyl]ethane-1,2-diamine is sourced from PubChem (CID 104855994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).