[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine

C10H22N2O2 — CID 6610880

IUPAC[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)(C)C1(C)O[C@@H](CN)[C@H](CN)O1
InChIInChI=1S/C10H22N2O2/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8H,5-6,11-12H2,1-4H3/t7-,8-/m0/s1
InChIKeyNEQOBKBUKJPBOL-YUMQZZPRSA-N
MW202.30 g/mol
LogP0.45
Rot. Bonds2

About [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine

[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine (PubChem CID 6610880) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine
PubChem CID6610880
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)(C)C1(C)O[C@@H](CN)[C@H](CN)O1
InChIInChI=1S/C10H22N2O2/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8H,5-6,11-12H2,1-4H3/t7-,8-/m0/s1
InChIKeyNEQOBKBUKJPBOL-YUMQZZPRSA-N
XLogP0.45
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine (CID 6610880) is [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine is CC(C)(C)C1(C)O[C@@H](CN)[C@H](CN)O1.
What is the InChIKey of [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is NEQOBKBUKJPBOL-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-9(2,3)10(4)13-7(5-11)8(6-12)14-10/h7-8H,5-6,11-12H2,1-4H3/t7-,8-/m0/s1.
What are the key properties of [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine?
[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 202.30 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 6610880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).