N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline

C18H29N3 — CID 115379260

IUPACN,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline
SMILESCC(C)C1CN2CCCC2CN1c1cccc(N(C)C)c1
InChIInChI=1S/C18H29N3/c1-14(2)18-13-20-10-6-9-17(20)12-21(18)16-8-5-7-15(11-16)19(3)4/h5,7-8,11,14,17-18H,6,9-10,12-13H2,1-4H3
InChIKeyASDGRHYTAHMMSS-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.06
Rot. Bonds3

About N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline

N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline (PubChem CID 115379260) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline
PubChem CID115379260
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC NameN,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline
SMILESCC(C)C1CN2CCCC2CN1c1cccc(N(C)C)c1
InChIInChI=1S/C18H29N3/c1-14(2)18-13-20-10-6-9-17(20)12-21(18)16-8-5-7-15(11-16)19(3)4/h5,7-8,11,14,17-18H,6,9-10,12-13H2,1-4H3
InChIKeyASDGRHYTAHMMSS-UHFFFAOYSA-N
XLogP3.06
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline?
The IUPAC name of N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline (CID 115379260) is N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline.
What is the SMILES notation for N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline?
The canonical SMILES for N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline is CC(C)C1CN2CCCC2CN1c1cccc(N(C)C)c1.
What is the InChIKey of N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline?
The InChIKey is ASDGRHYTAHMMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-14(2)18-13-20-10-6-9-17(20)12-21(18)16-8-5-7-15(11-16)19(3)4/h5,7-8,11,14,17-18H,6,9-10,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline?
N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline has a molecular weight of 287.45 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)aniline is sourced from PubChem (CID 115379260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).