N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

C12H19N3 — CID 107385247

IUPACN-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(C)ncc21
InChIInChI=1S/C12H19N3/c1-3-13-11-6-4-5-7-12-10(11)8-14-9(2)15-12/h8,11,13H,3-7H2,1-2H3
InChIKeyNKCDRZVEQUWAOT-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.16
Rot. Bonds2

About N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine

N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (PubChem CID 107385247) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
PubChem CID107385247
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC NameN-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
SMILESCCNC1CCCCc2nc(C)ncc21
InChIInChI=1S/C12H19N3/c1-3-13-11-6-4-5-7-12-10(11)8-14-9(2)15-12/h8,11,13H,3-7H2,1-2H3
InChIKeyNKCDRZVEQUWAOT-UHFFFAOYSA-N
XLogP2.16
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385325
N-ethyl-2-(ethylsulfanylmethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385270
N,2-dimethyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62008486
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009095
N-ethyl-2-(2H-triazol-4-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385367
2-(1-ethoxyethyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385252
N-ethyl-2-(4-methyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385347
N-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62009306
N-ethyl-2-(2-methylcyclopropyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 65422387
2-[cyclopropyl(methoxy)methyl]-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385373
N-ethyl-2-(methoxymethyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 62007510
2-(5-bromo-3-pyridinyl)-N-ethyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107385294

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The IUPAC name of N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine (CID 107385247) is N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine.
What is the SMILES notation for N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The canonical SMILES for N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is CCNC1CCCCc2nc(C)ncc21.
What is the InChIKey of N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
The InChIKey is NKCDRZVEQUWAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-3-13-11-6-4-5-7-12-10(11)8-14-9(2)15-12/h8,11,13H,3-7H2,1-2H3.
What are the key properties of N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine?
N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine has a molecular weight of 205.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine is sourced from PubChem (CID 107385247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).