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

C8H18N2O2 — CID 6101738

IUPAC[(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)C1O[C@@H](CN)[C@H](CN)O1
InChIInChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m0/s1
InChIKeyUUOFRXDFODYHPC-BQBZGAKWSA-N
MW174.24 g/mol
LogP-0.33
Rot. Bonds3

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

[(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine (PubChem CID 6101738) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
PubChem CID6101738
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name[(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine
SMILESCC(C)C1O[C@@H](CN)[C@H](CN)O1
InChIInChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m0/s1
InChIKeyUUOFRXDFODYHPC-BQBZGAKWSA-N
XLogP-0.33
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S,5S)-4,5-DI(Aminomethyl)-2,2-dimethyldioxolane
CID 785247
((4R,5R)-5-(aminomethyl)-2-(propan-2-yl)-1,3-dioxolan-4-yl)methanamine
CID 119379
2,2-Dimethyl-1,3-dioxolane-4,5-dimethanamine
CID 2829039
(+)-(4s,5s)-4,5-Bis(aminomethyl)-1,3-dioxolane
CID 10374501
[(4S,5S)-5-(aminomethyl)-2-tert-butyl-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 6610880
(4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethanamine
CID 785248
[(4R,5S)-5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanamine
CID 2246106
[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine
CID 9805868
[(4R,5R)-5-(aminomethyl)-2,2-diethyl-1,3-dioxolan-4-yl]methanamine
CID 9890221
[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 10103303
[(4S,5S)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine
CID 10374712
(4R,5R)-4,5-bis(aminomethyl)-1,3-dioxolane
CID 10441741

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine (CID 6101738) is [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine is CC(C)C1O[C@@H](CN)[C@H](CN)O1.
What is the InChIKey of [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
The InChIKey is UUOFRXDFODYHPC-BQBZGAKWSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-5(2)8-11-6(3-9)7(4-10)12-8/h5-8H,3-4,9-10H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of [(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine?
[(4S,5S)-5-(aminomethyl)-2-propan-2-yl-1,3-dioxolan-4-yl]methanamine has a molecular weight of 174.24 g/mol, XLogP of -0.33, 3 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-propan-2-yl-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 6101738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).