N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine

C17H26N4O — CID 124808129

IUPACN-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
SMILESCN(C[C@H]1CO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC1
InChIInChI=1S/C17H26N4O/c1-20(15-3-4-15)11-14-9-17(22-12-14)5-2-8-21(13-17)16-10-18-6-7-19-16/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3/t14-,17-/m0/s1
InChIKeyDEUUHZDOQBKSCA-YOEHRIQHSA-N
MW302.42 g/mol
LogP1.95
Rot. Bonds4

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

N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine (PubChem CID 124808129) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
PubChem CID124808129
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine
SMILESCN(C[C@H]1CO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC1
InChIInChI=1S/C17H26N4O/c1-20(15-3-4-15)11-14-9-17(22-12-14)5-2-8-21(13-17)16-10-18-6-7-19-16/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3/t14-,17-/m0/s1
InChIKeyDEUUHZDOQBKSCA-YOEHRIQHSA-N
XLogP1.95
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine (CID 124808129) is N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine is CN(C[C@H]1CO[C@@]2(CCCN(c3cnccn3)C2)C1)C1CC1.
What is the InChIKey of N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
The InChIKey is DEUUHZDOQBKSCA-YOEHRIQHSA-N. The full InChI is InChI=1S/C17H26N4O/c1-20(15-3-4-15)11-14-9-17(22-12-14)5-2-8-21(13-17)16-10-18-6-7-19-16/h6-7,10,14-15H,2-5,8-9,11-13H2,1H3/t14-,17-/m0/s1.
What are the key properties of N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine?
N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine has a molecular weight of 302.42 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(3S,5S)-9-pyrazin-2-yl-1-oxa-9-azaspiro[4.5]decan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 124808129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).