2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine

C16H30N2 — CID 55156497

IUPAC2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CN)(C1CC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2/c1-15(13-17,14-5-6-14)18-11-9-16(10-12-18)7-3-2-4-8-16/h14H,2-13,17H2,1H3
InChIKeyPDTHTYSJUUPXHY-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.16
Rot. Bonds3

About 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine

2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine (PubChem CID 55156497) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine.

Molecular Properties

Compound Name2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine
PubChem CID55156497
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine
SMILESCC(CN)(C1CC1)N1CCC2(CCCCC2)CC1
InChIInChI=1S/C16H30N2/c1-15(13-17,14-5-6-14)18-11-9-16(10-12-18)7-3-2-4-8-16/h14H,2-13,17H2,1H3
InChIKeyPDTHTYSJUUPXHY-UHFFFAOYSA-N
XLogP3.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine?
The IUPAC name of 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine (CID 55156497) is 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine.
What is the SMILES notation for 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine?
The canonical SMILES for 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine is CC(CN)(C1CC1)N1CCC2(CCCCC2)CC1.
What is the InChIKey of 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine?
The InChIKey is PDTHTYSJUUPXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(13-17,14-5-6-14)18-11-9-16(10-12-18)7-3-2-4-8-16/h14H,2-13,17H2,1H3.
What are the key properties of 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine?
2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine has a molecular weight of 250.43 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azaspiro[5.5]undecan-3-yl)-2-cyclopropylpropan-1-amine is sourced from PubChem (CID 55156497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).