(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine

C10H22N2 — CID 82598283

IUPAC(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CN)C1C(C)(C)C
InChIInChI=1S/C10H22N2/c1-10(2,3)9-8(7-11)5-6-12(9)4/h8-9H,5-7,11H2,1-4H3
InChIKeyKCXFIHSIWQIYPQ-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.31
Rot. Bonds1

About (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine

(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine (PubChem CID 82598283) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine.

Molecular Properties

Compound Name(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine
PubChem CID82598283
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Name(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine
SMILESCN1CCC(CN)C1C(C)(C)C
InChIInChI=1S/C10H22N2/c1-10(2,3)9-8(7-11)5-6-12(9)4/h8-9H,5-7,11H2,1-4H3
InChIKeyKCXFIHSIWQIYPQ-UHFFFAOYSA-N
XLogP1.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,3R)-1-methyl-2-(trifluoromethyl)azepan-3-yl]methanamine
CID 96614436
(1,5-dimethylazepan-4-yl)methanamine
CID 84763759
(1,3-dimethylpiperidin-4-yl)methanamine
CID 55285263
[1-methyl-2-(piperidin-4-ylmethyl)pyrrolidin-3-yl]methanamine
CID 82612828
3-[3-(aminomethyl)-1-methylpyrrolidin-2-yl]-N,N-dimethylpropan-1-amine
CID 83831660
(1,2-dimethylpiperidin-3-yl)methanamine
CID 83669908
(1-methyl-5-propylazepan-4-yl)methanamine
CID 84769502
[(2R,3S)-1-methyl-2-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methanamine
CID 95240602
[2-(1-methylpiperidin-2-yl)cyclopropyl]methanamine
CID 130138227
(1,3-dimethylpyrrolidin-2-yl)methanamine
CID 58841122
4-(aminomethyl)-2-tert-butyl-3-methoxypiperidine-1-carboxylic acid
CID 66820004
[1-methyl-2-(2,4,5-trifluorophenyl)pyrrolidin-3-yl]methanamine
CID 114058116

Frequently Asked Questions

What is the IUPAC name of (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine?
The IUPAC name of (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine (CID 82598283) is (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine.
What is the SMILES notation for (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine?
The canonical SMILES for (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine is CN1CCC(CN)C1C(C)(C)C.
What is the InChIKey of (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine?
The InChIKey is KCXFIHSIWQIYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2/c1-10(2,3)9-8(7-11)5-6-12(9)4/h8-9H,5-7,11H2,1-4H3.
What are the key properties of (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine?
(2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine has a molecular weight of 170.30 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-tert-butyl-1-methylpyrrolidin-3-yl)methanamine is sourced from PubChem (CID 82598283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).