tert-butyl formate;3-methylpyrrolidin-3-amine

C10H22N2O2 — CID 174689676

IUPACtert-butyl formate;3-methylpyrrolidin-3-amine
SMILESCC(C)(C)OC=O.CC1(N)CCNC1
InChIInChI=1S/C5H12N2.C5H10O2/c1-5(6)2-3-7-4-5;1-5(2,3)7-4-6/h7H,2-4,6H2,1H3;4H,1-3H3
InChIKeyMVEXQKHHRFFEQN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.65
Rot. Bonds1

About tert-butyl formate;3-methylpyrrolidin-3-amine

tert-butyl formate;3-methylpyrrolidin-3-amine (PubChem CID 174689676) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl formate;3-methylpyrrolidin-3-amine.

Molecular Properties

Compound Nametert-butyl formate;3-methylpyrrolidin-3-amine
PubChem CID174689676
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl formate;3-methylpyrrolidin-3-amine
SMILESCC(C)(C)OC=O.CC1(N)CCNC1
InChIInChI=1S/C5H12N2.C5H10O2/c1-5(6)2-3-7-4-5;1-5(2,3)7-4-6/h7H,2-4,6H2,1H3;4H,1-3H3
InChIKeyMVEXQKHHRFFEQN-UHFFFAOYSA-N
XLogP0.65
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate
CID 10798104
tert-butyl N-methyl-N-(3-methylpyrrolidin-3-yl)carbamate
CID 67155280
tert-butyl N-((3R)-3-methylpyrrolidin-3-yl)carbamate
CID 68846188
Tert-butyl formate;4,4-difluoropyrrolidin-3-amine
CID 161676988
Tert-butyl formate;4-(trifluoromethyl)pyrrolidin-3-amine
CID 174841850
(S)-tert-Butyl (3-methylpyrrolidin-3-yl)carbamate
CID 51041669
tert-Butyl methyl[(3S)-3-methylpyrrolidin-3-yl]carbamate
CID 51041899
Tert-butyl 3-methyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 83486126
tert-butyl (S)-(3-methylpyrrolidin-3-yl)carbamate hydrochloride
CID 86346202
(R)-(3-Methyl-pyrrolidin-3-yl)-carbamic acid tert-butyl ester hydrochloride
CID 86767484
tert-butyl N-(3-methylpyrrolidin-3-yl)carbamate hydrochloride
CID 86767490
tert-butyl (3S)-3-methyl-3-(methylamino)pyrrolidine-1-carboxylate
CID 96242449

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;3-methylpyrrolidin-3-amine?
The IUPAC name of tert-butyl formate;3-methylpyrrolidin-3-amine (CID 174689676) is tert-butyl formate;3-methylpyrrolidin-3-amine.
What is the SMILES notation for tert-butyl formate;3-methylpyrrolidin-3-amine?
The canonical SMILES for tert-butyl formate;3-methylpyrrolidin-3-amine is CC(C)(C)OC=O.CC1(N)CCNC1.
What is the InChIKey of tert-butyl formate;3-methylpyrrolidin-3-amine?
The InChIKey is MVEXQKHHRFFEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C5H10O2/c1-5(6)2-3-7-4-5;1-5(2,3)7-4-6/h7H,2-4,6H2,1H3;4H,1-3H3.
What are the key properties of tert-butyl formate;3-methylpyrrolidin-3-amine?
tert-butyl formate;3-methylpyrrolidin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;3-methylpyrrolidin-3-amine is sourced from PubChem (CID 174689676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).