N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine

C15H30N2O — CID 146174639

IUPACN-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine
SMILESCC(C)(CC1CCN(C(C)(C)C)C1)NC1COC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)17-7-6-12(9-17)8-15(4,5)16-13-10-18-11-13/h12-13,16H,6-11H2,1-5H3
InChIKeyDDKKDMHUWRPZJE-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.26
Rot. Bonds4

About N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine

N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine (PubChem CID 146174639) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine.

Molecular Properties

Compound NameN-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine
PubChem CID146174639
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine
SMILESCC(C)(CC1CCN(C(C)(C)C)C1)NC1COC1
InChIInChI=1S/C15H30N2O/c1-14(2,3)17-7-6-12(9-17)8-15(4,5)16-13-10-18-11-13/h12-13,16H,6-11H2,1-5H3
InChIKeyDDKKDMHUWRPZJE-UHFFFAOYSA-N
XLogP2.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine?
The IUPAC name of N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine (CID 146174639) is N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine.
What is the SMILES notation for N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine?
The canonical SMILES for N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine is CC(C)(CC1CCN(C(C)(C)C)C1)NC1COC1.
What is the InChIKey of N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine?
The InChIKey is DDKKDMHUWRPZJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-14(2,3)17-7-6-12(9-17)8-15(4,5)16-13-10-18-11-13/h12-13,16H,6-11H2,1-5H3.
What are the key properties of N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine?
N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-tert-butylpyrrolidin-3-yl)-2-methylpropan-2-yl]oxetan-3-amine is sourced from PubChem (CID 146174639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).