N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine

C13H23N — CID 130618858

IUPACN-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine
SMILESCC1CCCC1NC1CCC12CCC2
InChIInChI=1S/C13H23N/c1-10-4-2-5-11(10)14-12-6-9-13(12)7-3-8-13/h10-12,14H,2-9H2,1H3
InChIKeyPSOHGQSKAVANNY-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.10
Rot. Bonds2

About N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine

N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine (PubChem CID 130618858) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine.

Molecular Properties

Compound NameN-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine
PubChem CID130618858
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine
SMILESCC1CCCC1NC1CCC12CCC2
InChIInChI=1S/C13H23N/c1-10-4-2-5-11(10)14-12-6-9-13(12)7-3-8-13/h10-12,14H,2-9H2,1H3
InChIKeyPSOHGQSKAVANNY-UHFFFAOYSA-N
XLogP3.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine?
The IUPAC name of N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine (CID 130618858) is N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine.
What is the SMILES notation for N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine?
The canonical SMILES for N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine is CC1CCCC1NC1CCC12CCC2.
What is the InChIKey of N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine?
The InChIKey is PSOHGQSKAVANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-10-4-2-5-11(10)14-12-6-9-13(12)7-3-8-13/h10-12,14H,2-9H2,1H3.
What are the key properties of N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine?
N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine has a molecular weight of 193.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylcyclopentyl)spiro[3.3]heptan-3-amine is sourced from PubChem (CID 130618858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).