1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine

C14H30N2 — CID 126492640

IUPAC1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine
SMILESCC(C)(C)CCC1CC(N)CN1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-13(2,3)8-7-12-9-11(15)10-16(12)14(4,5)6/h11-12H,7-10,15H2,1-6H3
InChIKeyXYRPWDOVFLOWMC-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.01
Rot. Bonds2

About 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine

1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine (PubChem CID 126492640) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine
PubChem CID126492640
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC Name1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine
SMILESCC(C)(C)CCC1CC(N)CN1C(C)(C)C
InChIInChI=1S/C14H30N2/c1-13(2,3)8-7-12-9-11(15)10-16(12)14(4,5)6/h11-12H,7-10,15H2,1-6H3
InChIKeyXYRPWDOVFLOWMC-UHFFFAOYSA-N
XLogP3.01
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.01
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-(3,3-dimethylbutyl)pyrrolidin-3-amine?
The IUPAC name of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine (CID 126492640) is 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine.
What is the SMILES notation for 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine?
The canonical SMILES for 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine is CC(C)(C)CCC1CC(N)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine?
The InChIKey is XYRPWDOVFLOWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-13(2,3)8-7-12-9-11(15)10-16(12)14(4,5)6/h11-12H,7-10,15H2,1-6H3.
What are the key properties of 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine?
1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine has a molecular weight of 226.41 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-(3,3-dimethylbutyl)pyrrolidin-3-amine is sourced from PubChem (CID 126492640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).