N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H37N5 — CID 70208859

IUPACN,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1ncnc2[nH]ccc12.CNC1CCCCC1C
InChIInChI=1S/C14H20N4.C8H17N/c1-10-5-3-4-6-12(10)18(2)14-11-7-8-15-13(11)16-9-17-14;1-7-5-3-4-6-8(7)9-2/h7-10,12H,3-6H2,1-2H3,(H,15,16,17);7-9H,3-6H2,1-2H3
InChIKeyOMZFANWNKANAFF-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.76
Rot. Bonds3

About N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 70208859) has the molecular formula C22H37N5 and a molecular weight of 371.57 g/mol. Its IUPAC name is N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID70208859
Molecular FormulaC22H37N5
Molecular Weight371.57 g/mol
Exact Mass371.30
IUPAC NameN,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCC1CCCCC1N(C)c1ncnc2[nH]ccc12.CNC1CCCCC1C
InChIInChI=1S/C14H20N4.C8H17N/c1-10-5-3-4-6-12(10)18(2)14-11-7-8-15-13(11)16-9-17-14;1-7-5-3-4-6-8(7)9-2/h7-10,12H,3-6H2,1-2H3,(H,15,16,17);7-9H,3-6H2,1-2H3
InChIKeyOMZFANWNKANAFF-UHFFFAOYSA-N
XLogP4.76
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 70208859) is N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CC1CCCCC1N(C)c1ncnc2[nH]ccc12.CNC1CCCCC1C.
What is the InChIKey of N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is OMZFANWNKANAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4.C8H17N/c1-10-5-3-4-6-12(10)18(2)14-11-7-8-15-13(11)16-9-17-14;1-7-5-3-4-6-8(7)9-2/h7-10,12H,3-6H2,1-2H3,(H,15,16,17);7-9H,3-6H2,1-2H3.
What are the key properties of N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 371.57 g/mol, XLogP of 4.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylcyclohexan-1-amine;N-methyl-N-(2-methylcyclohexyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 70208859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).