7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane

C14H25N — CID 171656732

IUPAC7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCC1(CN2CCC3(CCC3)CC2)CC1
InChIInChI=1S/C14H25N/c1-2-13(6-7-13)12-15-10-8-14(9-11-15)4-3-5-14/h2-12H2,1H3
InChIKeyKZLBUUKCVUMIDF-UHFFFAOYSA-N
MW207.36 g/mol
LogP3.44
Rot. Bonds3

About 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane

7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 171656732) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
PubChem CID171656732
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCC1(CN2CCC3(CCC3)CC2)CC1
InChIInChI=1S/C14H25N/c1-2-13(6-7-13)12-15-10-8-14(9-11-15)4-3-5-14/h2-12H2,1H3
InChIKeyKZLBUUKCVUMIDF-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (CID 171656732) is 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is CCC1(CN2CCC3(CCC3)CC2)CC1.
What is the InChIKey of 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is KZLBUUKCVUMIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N/c1-2-13(6-7-13)12-15-10-8-14(9-11-15)4-3-5-14/h2-12H2,1H3.
What are the key properties of 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 207.36 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 171656732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).