N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine

C9H19NO2 — CID 12762816

IUPACN-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H19NO2/c1-7(2)10-5-8-6-11-9(3,4)12-8/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyCLPYLBMXTAOERP-QMMMGPOBSA-N
MW173.26 g/mol
LogP1.14
Rot. Bonds3

About N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine

N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine (PubChem CID 12762816) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine
PubChem CID12762816
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@H]1COC(C)(C)O1
InChIInChI=1S/C9H19NO2/c1-7(2)10-5-8-6-11-9(3,4)12-8/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1
InChIKeyCLPYLBMXTAOERP-QMMMGPOBSA-N
XLogP1.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine (CID 12762816) is N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine is CC(C)NC[C@H]1COC(C)(C)O1.
What is the InChIKey of N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine?
The InChIKey is CLPYLBMXTAOERP-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(2)10-5-8-6-11-9(3,4)12-8/h7-8,10H,5-6H2,1-4H3/t8-/m0/s1.
What are the key properties of N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine?
N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine has a molecular weight of 173.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 12762816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).