1-tert-butyl-5-methylidenepyrrolidin-3-amine

C9H18N2 — CID 90322909

IUPAC1-tert-butyl-5-methylidenepyrrolidin-3-amine
SMILESC=C1CC(N)CN1C(C)(C)C
InChIInChI=1S/C9H18N2/c1-7-5-8(10)6-11(7)9(2,3)4/h8H,1,5-6,10H2,2-4H3
InChIKeyJERANFLFFXIJAZ-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.33
Rot. Bonds

About 1-tert-butyl-5-methylidenepyrrolidin-3-amine

1-tert-butyl-5-methylidenepyrrolidin-3-amine (PubChem CID 90322909) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 1-tert-butyl-5-methylidenepyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-5-methylidenepyrrolidin-3-amine
PubChem CID90322909
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name1-tert-butyl-5-methylidenepyrrolidin-3-amine
SMILESC=C1CC(N)CN1C(C)(C)C
InChIInChI=1S/C9H18N2/c1-7-5-8(10)6-11(7)9(2,3)4/h8H,1,5-6,10H2,2-4H3
InChIKeyJERANFLFFXIJAZ-UHFFFAOYSA-N
XLogP1.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methylidenepyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-5-methylidenepyrrolidin-3-amine (CID 90322909) is 1-tert-butyl-5-methylidenepyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-5-methylidenepyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-5-methylidenepyrrolidin-3-amine is C=C1CC(N)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-methylidenepyrrolidin-3-amine?
The InChIKey is JERANFLFFXIJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7-5-8(10)6-11(7)9(2,3)4/h8H,1,5-6,10H2,2-4H3.
What are the key properties of 1-tert-butyl-5-methylidenepyrrolidin-3-amine?
1-tert-butyl-5-methylidenepyrrolidin-3-amine has a molecular weight of 154.26 g/mol, XLogP of 1.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methylidenepyrrolidin-3-amine is sourced from PubChem (CID 90322909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).