N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

C19H32N6 — CID 74551377

IUPACN,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC(C)C1NNC2CCN(c3nc(N(C)C)nc4c3CCCC4)CC21
InChIInChI=1S/C19H32N6/c1-12(2)17-14-11-25(10-9-16(14)22-23-17)18-13-7-5-6-8-15(13)20-19(21-18)24(3)4/h12,14,16-17,22-23H,5-11H2,1-4H3
InChIKeyWFGVBHNSHAPWFA-UHFFFAOYSA-N
MW344.51 g/mol
LogP1.75
Rot. Bonds3

About N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine

N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (PubChem CID 74551377) has the molecular formula C19H32N6 and a molecular weight of 344.51 g/mol. Its IUPAC name is N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
PubChem CID74551377
Molecular FormulaC19H32N6
Molecular Weight344.51 g/mol
Exact Mass344.27
IUPAC NameN,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine
SMILESCC(C)C1NNC2CCN(c3nc(N(C)C)nc4c3CCCC4)CC21
InChIInChI=1S/C19H32N6/c1-12(2)17-14-11-25(10-9-16(14)22-23-17)18-13-7-5-6-8-15(13)20-19(21-18)24(3)4/h12,14,16-17,22-23H,5-11H2,1-4H3
InChIKeyWFGVBHNSHAPWFA-UHFFFAOYSA-N
XLogP1.75
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.51
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The IUPAC name of N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine (CID 74551377) is N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The canonical SMILES for N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is CC(C)C1NNC2CCN(c3nc(N(C)C)nc4c3CCCC4)CC21.
What is the InChIKey of N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
The InChIKey is WFGVBHNSHAPWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N6/c1-12(2)17-14-11-25(10-9-16(14)22-23-17)18-13-7-5-6-8-15(13)20-19(21-18)24(3)4/h12,14,16-17,22-23H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine?
N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine has a molecular weight of 344.51 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-5,6,7,8-tetrahydroquinazolin-2-amine is sourced from PubChem (CID 74551377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).