(3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

C16H24N4O — CID 97395496

IUPAC(3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESc1cnc(N[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)cn1
InChIInChI=1S/C16H24N4O/c1-4-16(12-20(7-1)10-13-2-3-13)8-14(11-21-16)19-15-9-17-5-6-18-15/h5-6,9,13-14H,1-4,7-8,10-12H2,(H,18,19)/t14-,16+/m0/s1
InChIKeyHDRKVDSHMOWRFE-GOEBONIOSA-N
MW288.39 g/mol
LogP1.92
Rot. Bonds4

About (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine

(3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (PubChem CID 97395496) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.

Molecular Properties

Compound Name(3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
PubChem CID97395496
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine
SMILESc1cnc(N[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)cn1
InChIInChI=1S/C16H24N4O/c1-4-16(12-20(7-1)10-13-2-3-13)8-14(11-21-16)19-15-9-17-5-6-18-15/h5-6,9,13-14H,1-4,7-8,10-12H2,(H,18,19)/t14-,16+/m0/s1
InChIKeyHDRKVDSHMOWRFE-GOEBONIOSA-N
XLogP1.92
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The IUPAC name of (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine (CID 97395496) is (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine.
What is the SMILES notation for (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The canonical SMILES for (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is c1cnc(N[C@@H]2CO[C@]3(CCCN(CC4CC4)C3)C2)cn1.
What is the InChIKey of (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
The InChIKey is HDRKVDSHMOWRFE-GOEBONIOSA-N. The full InChI is InChI=1S/C16H24N4O/c1-4-16(12-20(7-1)10-13-2-3-13)8-14(11-21-16)19-15-9-17-5-6-18-15/h5-6,9,13-14H,1-4,7-8,10-12H2,(H,18,19)/t14-,16+/m0/s1.
What are the key properties of (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine?
(3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine has a molecular weight of 288.39 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-9-(cyclopropylmethyl)-N-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-amine is sourced from PubChem (CID 97395496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).