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

C9H20N2 — CID 21132215

IUPAC1-tert-butyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H20N2/c1-9(2,3)11-6-5-8(7-11)10-4/h8,10H,5-7H2,1-4H3
InChIKeyVEQXDPGAOLOVBC-UHFFFAOYSA-N
MW156.27 g/mol
LogP1.08
Rot. Bonds1

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

1-tert-butyl-N-methylpyrrolidin-3-amine (PubChem CID 21132215) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-tert-butyl-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-N-methylpyrrolidin-3-amine
PubChem CID21132215
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name1-tert-butyl-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(C(C)(C)C)C1
InChIInChI=1S/C9H20N2/c1-9(2,3)11-6-5-8(7-11)10-4/h8,10H,5-7H2,1-4H3
InChIKeyVEQXDPGAOLOVBC-UHFFFAOYSA-N
XLogP1.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-1-(pyrrolidin-1-yl)propan-2-amine
CID 2794701
3-(Ethylamino)pyrrolidine
CID 14280900
2-[3-(Aminomethyl)-1-pyrrolidinyl]-N,N-dimethylethanamine
CID 24696719
(1-(Butan-2-yl)pyrrolidin-3-yl)methanamine
CID 17389968
Imidazolidine, 4,4-dimethyl-1-isopropyl-
CID 46538
3-(Dimethylamino)pyrrolidine
CID 2758519
(S)-N-Ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 7141622
2-(Pyrrolidin-1-yl)propan-1-amine
CID 11051670
3-(Diethylamino)pyrrolidine
CID 19961995
(3R)-N,N-dimethylpyrrolidin-3-amine dihydrochloride
CID 53487164
4-Methyl-1-(propan-2-yl)pyrrolidin-3-amine
CID 58030188
1-(Cyclopropylmethyl)pyrrolidin-3-amine
CID 16244565

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-N-methylpyrrolidin-3-amine (CID 21132215) is 1-tert-butyl-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-N-methylpyrrolidin-3-amine is CNC1CCN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-N-methylpyrrolidin-3-amine?
The InChIKey is VEQXDPGAOLOVBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2/c1-9(2,3)11-6-5-8(7-11)10-4/h8,10H,5-7H2,1-4H3.
What are the key properties of 1-tert-butyl-N-methylpyrrolidin-3-amine?
1-tert-butyl-N-methylpyrrolidin-3-amine has a molecular weight of 156.27 g/mol, XLogP of 1.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 21132215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).