N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

C17H26N4 — CID 107381002

IUPACN-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCC[C@H]3CCCC[C@H]32)cnc1CNC1CC1
InChIInChI=1S/C17H26N4/c1-2-6-16-13(4-1)5-3-9-21(16)17-12-19-15(11-20-17)10-18-14-7-8-14/h11-14,16,18H,1-10H2/t13-,16-/m1/s1
InChIKeyDLFDNLDVTPQQHX-CZUORRHYSA-N
MW286.42 g/mol
LogP2.89
Rot. Bonds4

About N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine

N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (PubChem CID 107381002) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
PubChem CID107381002
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC NameN-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine
SMILESc1nc(N2CCC[C@H]3CCCC[C@H]32)cnc1CNC1CC1
InChIInChI=1S/C17H26N4/c1-2-6-16-13(4-1)5-3-9-21(16)17-12-19-15(11-20-17)10-18-14-7-8-14/h11-14,16,18H,1-10H2/t13-,16-/m1/s1
InChIKeyDLFDNLDVTPQQHX-CZUORRHYSA-N
XLogP2.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(2-cyclopentylpyrrolidin-1-yl)pyrazin-2-yl]methyl]propan-2-amine
CID 107379535
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 66449156
N-[[5-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380430
N-[[6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 65324562
N-[[5-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrazin-2-yl]methyl]-2-methylpropan-1-amine
CID 107380713
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62755147
N-[[2-(2-cyclopentylpyrrolidin-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 62294591
N-[[5-(2,2-dimethylpyrrolidin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107380178
N-[[5-(4-propan-2-ylpiperazin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 107379247
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82751675
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)phenyl]methyl]cyclopropanamine
CID 65319734
N-[[2-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 82752978

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine (CID 107381002) is N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is c1nc(N2CCC[C@H]3CCCC[C@H]32)cnc1CNC1CC1.
What is the InChIKey of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
The InChIKey is DLFDNLDVTPQQHX-CZUORRHYSA-N. The full InChI is InChI=1S/C17H26N4/c1-2-6-16-13(4-1)5-3-9-21(16)17-12-19-15(11-20-17)10-18-14-7-8-14/h11-14,16,18H,1-10H2/t13-,16-/m1/s1.
What are the key properties of N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine?
N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine has a molecular weight of 286.42 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]pyrazin-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 107381002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).