(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

C17H25N3O — CID 124910174

IUPAC(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1ccc(N[C@H]2CCO[C@@]3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C17H25N3O/c1-2-8-18-16(3-1)19-15-6-10-21-17(11-15)7-9-20(13-17)12-14-4-5-14/h1-3,8,14-15H,4-7,9-13H2,(H,18,19)/t15-,17-/m0/s1
InChIKeyHBISVXAWTFDWKW-RDJZCZTQSA-N
MW287.41 g/mol
LogP2.53
Rot. Bonds4

About (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine

(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (PubChem CID 124910174) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.

Molecular Properties

Compound Name(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
PubChem CID124910174
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
SMILESc1ccc(N[C@H]2CCO[C@@]3(CCN(CC4CC4)C3)C2)nc1
InChIInChI=1S/C17H25N3O/c1-2-8-18-16(3-1)19-15-6-10-21-17(11-15)7-9-20(13-17)12-14-4-5-14/h1-3,8,14-15H,4-7,9-13H2,(H,18,19)/t15-,17-/m0/s1
InChIKeyHBISVXAWTFDWKW-RDJZCZTQSA-N
XLogP2.53
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R,9R)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477327
(5R,9R)-N-pyridin-2-yl-2-pyrimidin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475455
(5R,9R)-2-[(2-methoxy-3-pyridinyl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97475999
8-(oxolan-3-ylmethyl)-N-pyridin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 134078983
phenyl-[(5S,9S)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 124803332
(5R,9R)-N-pyridin-2-yl-2-(thiophen-3-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155846143
(3,3-difluorocyclobutyl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131690340
[(1S,5R)-3-oxabicyclo[3.1.0]hexan-6-yl]-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 131689946
(5R,9S)-2-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847801
3-methylsulfonyl-1-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]propan-1-one
CID 131690057
(2-methylpyrazol-3-yl)-[(5R,9R)-9-(pyridin-2-ylamino)-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477782
(5R,9R)-N-(5-methylpyrimidin-2-yl)-2-(oxan-4-ylmethyl)-6-oxa-2-azaspiro[4.5]decan-9-amine
CID 97477347

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The IUPAC name of (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine (CID 124910174) is (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine.
What is the SMILES notation for (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The canonical SMILES for (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is c1ccc(N[C@H]2CCO[C@@]3(CCN(CC4CC4)C3)C2)nc1.
What is the InChIKey of (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
The InChIKey is HBISVXAWTFDWKW-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-8-18-16(3-1)19-15-6-10-21-17(11-15)7-9-20(13-17)12-14-4-5-14/h1-3,8,14-15H,4-7,9-13H2,(H,18,19)/t15-,17-/m0/s1.
What are the key properties of (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine?
(5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine has a molecular weight of 287.41 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-2-(cyclopropylmethyl)-N-pyridin-2-yl-6-oxa-2-azaspiro[4.5]decan-9-amine is sourced from PubChem (CID 124910174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).