8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane

C17H25N3 — CID 64877763

IUPAC8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1cc(CN2CC3(CCCC3)NCC2C2CC2)ccn1
InChIInChI=1S/C17H25N3/c1-2-8-17(7-1)13-20(12-14-5-9-18-10-6-14)16(11-19-17)15-3-4-15/h5-6,9-10,15-16,19H,1-4,7-8,11-13H2
InChIKeyCRTBAKNXCGRBFU-UHFFFAOYSA-N
MW271.41 g/mol
LogP2.58
Rot. Bonds3

About 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane

8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane (PubChem CID 64877763) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
PubChem CID64877763
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane
SMILESc1cc(CN2CC3(CCCC3)NCC2C2CC2)ccn1
InChIInChI=1S/C17H25N3/c1-2-8-17(7-1)13-20(12-14-5-9-18-10-6-14)16(11-19-17)15-3-4-15/h5-6,9-10,15-16,19H,1-4,7-8,11-13H2
InChIKeyCRTBAKNXCGRBFU-UHFFFAOYSA-N
XLogP2.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(4-chlorophenyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64877376
8-cyclopropyl-9-(pyrimidin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64878339
9-[(5-bromo-3-pyridinyl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 104812533
3-cyclopropyl-4-[(1-methylpyrazol-3-yl)methyl]-1,4-diazaspiro[5.5]undecane
CID 82872339
8-cyclopropyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-6,9-diazaspiro[4.5]decane
CID 103016553
8-methyl-9-(2-pyridin-4-ylethyl)-6,9-diazaspiro[4.5]decane
CID 64933810
8-cyclopropyl-9-[(2-methyltetrazol-5-yl)methyl]-6,9-diazaspiro[4.5]decane
CID 107055892
9-[(4-bromothiophen-2-yl)methyl]-8-cyclopropyl-6,9-diazaspiro[4.5]decane
CID 64875648
4-(cyclobutylmethyl)-3-cyclopropyl-1,4-diazaspiro[5.5]undecane
CID 65461677
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
2-cyclopropyl-5-ethyl-1-[(4-iodophenyl)methyl]-5-methylpiperazine
CID 65491763
3-cyclopropyl-4-(2-propoxyethyl)-1,4-diazaspiro[5.5]undecane
CID 106458748

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
The IUPAC name of 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane (CID 64877763) is 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane.
What is the SMILES notation for 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
The canonical SMILES for 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane is c1cc(CN2CC3(CCCC3)NCC2C2CC2)ccn1.
What is the InChIKey of 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
The InChIKey is CRTBAKNXCGRBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-2-8-17(7-1)13-20(12-14-5-9-18-10-6-14)16(11-19-17)15-3-4-15/h5-6,9-10,15-16,19H,1-4,7-8,11-13H2.
What are the key properties of 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane?
8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane has a molecular weight of 271.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-9-(pyridin-4-ylmethyl)-6,9-diazaspiro[4.5]decane is sourced from PubChem (CID 64877763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).