N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine

C11H19NO2 — CID 155593787

IUPACN-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CC[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H19NO2/c1-5-7-12(4)8-6-10-9-13-11(2,3)14-10/h1,10H,6-9H2,2-4H3/t10-/m0/s1
InChIKeyHFDNDMGMERJKPQ-JTQLQIEISA-N
MW197.28 g/mol
LogP1.09
Rot. Bonds4

About N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine

N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine (PubChem CID 155593787) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine
PubChem CID155593787
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)CC[C@H]1COC(C)(C)O1
InChIInChI=1S/C11H19NO2/c1-5-7-12(4)8-6-10-9-13-11(2,3)14-10/h1,10H,6-9H2,2-4H3/t10-/m0/s1
InChIKeyHFDNDMGMERJKPQ-JTQLQIEISA-N
XLogP1.09
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine (CID 155593787) is N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine is C#CCN(C)CC[C@H]1COC(C)(C)O1.
What is the InChIKey of N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine?
The InChIKey is HFDNDMGMERJKPQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-12(4)8-6-10-9-13-11(2,3)14-10/h1,10H,6-9H2,2-4H3/t10-/m0/s1.
What are the key properties of N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine?
N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine has a molecular weight of 197.28 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 155593787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).