[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine

C18H35N3 — CID 62937205

IUPAC[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-16(2)20-11-10-18(14-19,15-20)21-12-8-17(9-13-21)6-4-3-5-7-17/h16H,3-15,19H2,1-2H3
InChIKeyNNTWUOYDXCTXME-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.84
Rot. Bonds3

About [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine

[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine (PubChem CID 62937205) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
PubChem CID62937205
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCC(C)N1CCC(CN)(N2CCC3(CCCCC3)CC2)C1
InChIInChI=1S/C18H35N3/c1-16(2)20-11-10-18(14-19,15-20)21-12-8-17(9-13-21)6-4-3-5-7-17/h16H,3-15,19H2,1-2H3
InChIKeyNNTWUOYDXCTXME-UHFFFAOYSA-N
XLogP2.84
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine (CID 62937205) is [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine is CC(C)N1CCC(CN)(N2CCC3(CCCCC3)CC2)C1.
What is the InChIKey of [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The InChIKey is NNTWUOYDXCTXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-16(2)20-11-10-18(14-19,15-20)21-12-8-17(9-13-21)6-4-3-5-7-17/h16H,3-15,19H2,1-2H3.
What are the key properties of [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine?
[3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine has a molecular weight of 293.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-azaspiro[5.5]undecan-3-yl)-1-propan-2-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 62937205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).