4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

C12H22N2 — CID 130581230

IUPAC4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESC1CCC2C(C1)NCCN2CC1CC1
InChIInChI=1S/C12H22N2/c1-2-4-12-11(3-1)13-7-8-14(12)9-10-5-6-10/h10-13H,1-9H2
InChIKeyMMSKDCARIHFAOO-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.61
Rot. Bonds2

About 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline

4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (PubChem CID 130581230) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
PubChem CID130581230
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
SMILESC1CCC2C(C1)NCCN2CC1CC1
InChIInChI=1S/C12H22N2/c1-2-4-12-11(3-1)13-7-8-14(12)9-10-5-6-10/h10-13H,1-9H2
InChIKeyMMSKDCARIHFAOO-UHFFFAOYSA-N
XLogP1.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline with MolForge

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Related Compounds

rac-(4aR,8aR)-decahydroquinoxaline
CID 28409949
(4AR,8AR)-Decahydroquinoxaline
CID 15650611
Tetradecahydrophenazine
CID 5246377
cis-Decahydro-quinoxaline
CID 15650612
Decahydroquinoxaline
CID 17906435
(2S,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 24744083
(2R,4aR,8aR)-2-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 101454889
trans-4-(4-(Cyclopropylmethyl)piperazin-1-yl)cyclohexanamine
CID 11586738
(4Ar,8as)-1-methyldecahydroquinoxaline
CID 231577
(2S,3R,4aR,8aR)-2,3-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoxaline
CID 102313626
4-(2-fluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581245
2,3-Dimethyldecahydroquinoxaline--hydrogen chloride (1/1)
CID 54599179

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The IUPAC name of 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline (CID 130581230) is 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline.
What is the SMILES notation for 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The canonical SMILES for 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is C1CCC2C(C1)NCCN2CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
The InChIKey is MMSKDCARIHFAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-2-4-12-11(3-1)13-7-8-14(12)9-10-5-6-10/h10-13H,1-9H2.
What are the key properties of 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline?
4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline has a molecular weight of 194.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline is sourced from PubChem (CID 130581230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).