N-tert-butyl-1-methylpyrrolidin-3-amine;ethane

C13H32N2 — CID 167501392

IUPACN-tert-butyl-1-methylpyrrolidin-3-amine;ethane
SMILESCC.CC.CN1CCC(NC(C)(C)C)C1
InChIInChI=1S/C9H20N2.2C2H6/c1-9(2,3)10-8-5-6-11(4)7-8;2*1-2/h8,10H,5-7H2,1-4H3;2*1-2H3
InChIKeyUCRYNPMMUHHALS-UHFFFAOYSA-N
MW216.41 g/mol
LogP3.13
Rot. Bonds1

About N-tert-butyl-1-methylpyrrolidin-3-amine;ethane

N-tert-butyl-1-methylpyrrolidin-3-amine;ethane (PubChem CID 167501392) has the molecular formula C13H32N2 and a molecular weight of 216.41 g/mol. Its IUPAC name is N-tert-butyl-1-methylpyrrolidin-3-amine;ethane.

Molecular Properties

Compound NameN-tert-butyl-1-methylpyrrolidin-3-amine;ethane
PubChem CID167501392
Molecular FormulaC13H32N2
Molecular Weight216.41 g/mol
Exact Mass216.26
IUPAC NameN-tert-butyl-1-methylpyrrolidin-3-amine;ethane
SMILESCC.CC.CN1CCC(NC(C)(C)C)C1
InChIInChI=1S/C9H20N2.2C2H6/c1-9(2,3)10-8-5-6-11(4)7-8;2*1-2/h8,10H,5-7H2,1-4H3;2*1-2H3
InChIKeyUCRYNPMMUHHALS-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-[(1-methylpyrrolidin-3-yl)amino]butanoic acid
CID 82238992
ethane;N-ethyl-1-methylpyrrolidin-3-amine
CID 145338055
N-tert-butyl-1-methylsulfonylpyrrolidin-3-amine
CID 72663039
2,2-dimethyl-N-[(3S)-1-methylpyrrolidin-3-yl]propanamide
CID 58679843
N-[(1S)-1-cycloheptylethyl]-1-methylpyrrolidin-3-amine
CID 81391420
N-(1-cyclohexylethyl)-1-methylpyrrolidin-3-amine
CID 61462202
1-[3-(tert-butylamino)pyrrolidin-1-yl]ethanone
CID 58945224
(3R)-1-methyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine
CID 162433689
N-tert-butyl-1-(cyclopropylmethyl)piperidin-4-amine
CID 58365059
[(1-methylpyrrolidin-3-yl)amino]methanethiol
CID 115227697
1-methyl-N-(oxetan-3-yl)pyrrolidin-3-amine
CID 63623290
(2-methylpropan-2-yl)oxy-[(1-methylpyrrolidin-3-yl)amino]methanol
CID 163892499

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-methylpyrrolidin-3-amine;ethane?
The IUPAC name of N-tert-butyl-1-methylpyrrolidin-3-amine;ethane (CID 167501392) is N-tert-butyl-1-methylpyrrolidin-3-amine;ethane.
What is the SMILES notation for N-tert-butyl-1-methylpyrrolidin-3-amine;ethane?
The canonical SMILES for N-tert-butyl-1-methylpyrrolidin-3-amine;ethane is CC.CC.CN1CCC(NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-1-methylpyrrolidin-3-amine;ethane?
The InChIKey is UCRYNPMMUHHALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.2C2H6/c1-9(2,3)10-8-5-6-11(4)7-8;2*1-2/h8,10H,5-7H2,1-4H3;2*1-2H3.
What are the key properties of N-tert-butyl-1-methylpyrrolidin-3-amine;ethane?
N-tert-butyl-1-methylpyrrolidin-3-amine;ethane has a molecular weight of 216.41 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-methylpyrrolidin-3-amine;ethane is sourced from PubChem (CID 167501392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).