(3S)-1-tert-butylpyrrolidin-3-amine

C8H18N2 — CID 45087953

IUPAC(3S)-1-tert-butylpyrrolidin-3-amine
SMILESCC(C)(C)N1CC[C@H](N)C1
InChIInChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(9)6-10/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyUTEZMBDWXGWOQJ-ZETCQYMHSA-N
MW142.25 g/mol
LogP0.82
Rot. Bonds

About (3S)-1-tert-butylpyrrolidin-3-amine

(3S)-1-tert-butylpyrrolidin-3-amine (PubChem CID 45087953) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (3S)-1-tert-butylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butylpyrrolidin-3-amine
PubChem CID45087953
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(3S)-1-tert-butylpyrrolidin-3-amine
SMILESCC(C)(C)N1CC[C@H](N)C1
InChIInChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(9)6-10/h7H,4-6,9H2,1-3H3/t7-/m0/s1
InChIKeyUTEZMBDWXGWOQJ-ZETCQYMHSA-N
XLogP0.82
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-tert-butylpyrrolidin-3-amine (CID 45087953) is (3S)-1-tert-butylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-tert-butylpyrrolidin-3-amine is CC(C)(C)N1CC[C@H](N)C1.
What is the InChIKey of (3S)-1-tert-butylpyrrolidin-3-amine?
The InChIKey is UTEZMBDWXGWOQJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H18N2/c1-8(2,3)10-5-4-7(9)6-10/h7H,4-6,9H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-1-tert-butylpyrrolidin-3-amine?
(3S)-1-tert-butylpyrrolidin-3-amine has a molecular weight of 142.25 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butylpyrrolidin-3-amine is sourced from PubChem (CID 45087953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).