[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate

C11H22N2O2 — CID 176601662

IUPAC[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate
SMILESCC1CCNC1CN(COC=O)C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)13(7-15-8-14)6-11-10(3)4-5-12-11/h8-12H,4-7H2,1-3H3
InChIKeyYNTMZLZFGJADMD-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.83
Rot. Bonds6

About [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate

[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate (PubChem CID 176601662) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate.

Molecular Properties

Compound Name[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate
PubChem CID176601662
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate
SMILESCC1CCNC1CN(COC=O)C(C)C
InChIInChI=1S/C11H22N2O2/c1-9(2)13(7-15-8-14)6-11-10(3)4-5-12-11/h8-12H,4-7H2,1-3H3
InChIKeyYNTMZLZFGJADMD-UHFFFAOYSA-N
XLogP0.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
CID 176601289
N-(cyclopropylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107069115
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085
2-methyl-N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 176601781
N,2-dimethyl-N-[(3-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102775601
propan-2-yl 5-[[formyloxymethyl(propan-2-yl)amino]methyl]pyrrolidine-2-carboxylate
CID 176601139
1-cyclopropyl-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775636
N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylcyclopropanamine
CID 176601349
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107068970
2-(azetidin-2-yl)propyl formate
CID 174706434
ethane;(3-methylpyrrolidin-2-yl)methanamine
CID 177053684
2-methoxy-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775761

Frequently Asked Questions

What is the IUPAC name of [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate?
The IUPAC name of [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate (CID 176601662) is [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate.
What is the SMILES notation for [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate?
The canonical SMILES for [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate is CC1CCNC1CN(COC=O)C(C)C.
What is the InChIKey of [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate?
The InChIKey is YNTMZLZFGJADMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)13(7-15-8-14)6-11-10(3)4-5-12-11/h8-12H,4-7H2,1-3H3.
What are the key properties of [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate?
[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate has a molecular weight of 214.31 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate is sourced from PubChem (CID 176601662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).